Molbank

Open AccessShort Note

(E)-4-(2-(7-Bromo-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)vinyl)-N,N-diphenylaniline

by

Timofey N. Chmovzh

and

Oleg A. Rakitin

Molbank 2022, 2022(2), M1368; https://doi.org/10.3390/M1368 - 19 May 2022

Abstract

(Diphenylamino)phenylethenyl group-containing chromophores are widely employed to design effective materials with useful electronic properties. In this communication, (E)-4-(2-(7-Bromo-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)vinyl)-N,N-diphenylaniline was regioselectively obtained by the Heck reaction of 4,7-dibromo-[1,2,5]thiadiazolo[3,4-c]pyridine with N,N-diphenyl-4-vinylaniline. The [...] Read more.

(Diphenylamino)phenylethenyl group-containing chromophores are widely employed to design effective materials with useful electronic properties. In this communication, (E)-4-(2-(7-Bromo-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)vinyl)-N,N-diphenylaniline was regioselectively obtained by the Heck reaction of 4,7-dibromo-[1,2,5]thiadiazolo[3,4-c]pyridine with N,N-diphenyl-4-vinylaniline. The structure of the newly synthesized compound was established by means of elemental analysis, high resolution mass-spectrometry, ¹H, ¹³C, NOESY NMR, IR and UV spectroscopy and mass-spectrometry. Full article

(This article belongs to the Special Issue Heteroatom Rich Organic Heterocycles)

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Open AccessShort Note

2,4-Diamino-5-(nitromethyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile

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Molbank 2022, 2022(2), M1365; https://doi.org/10.3390/M1365 - 18 May 2022

Abstract

Dimethyl sulfoxide (DMSO) is a cheap polar aprotic solvent used in organic synthesis and in pharmacology because of its low cost, high stability, and non-toxicity. Multicomponent reactions (MCRs) are highly convergent processes and have good atom, step, and pot economies. In this communication, [...] Read more.

Dimethyl sulfoxide (DMSO) is a cheap polar aprotic solvent used in organic synthesis and in pharmacology because of its low cost, high stability, and non-toxicity. Multicomponent reactions (MCRs) are highly convergent processes and have good atom, step, and pot economies. In this communication, the multicomponent transformation of salicylaldehyde, malononitrile dimer, and nitromethane in DMSO at room temperature was investigated to give 2,4-diamino-5-(nitromethyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile in good yield. The structure of the earlier unknown compound was confirmed by means of elemental analysis, mass-, nuclear magnetic resonance, and infrared spectroscopy. Full article

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Graphical abstract

Open AccessShort Note

Tetraethylammonium tribromo(triphenylphosphine)nickelate(II)

by

François Baril-Robert

,

Nicolas Bélanger-Desmarais

and

Christian Reber

Molbank 2022, 2022(2), M1366; https://doi.org/10.3390/M1366 - 18 May 2022

Abstract

The crystal structure and vibrational spectra of the tetraethylammonium salt of tribromotriphylphosphinonickel(II) is reported. Br-Ni-Br angles vary between 108° and 121°, deviating from perfect tetrahedral angles. Full article

(This article belongs to the Section Structure Determination)

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Open AccessCommunication

Solution Equilibria Formation of Manganese(II) Complexes with Ethylenediamine, 1,3-Propanediamine and 1,4-ButanediaMine in Methanol

by

José J. N. Segoviano-Garfias

,

Gabriela A. Zanor

and

Fidel Ávila-Ramos

Molbank 2022, 2022(2), M1367; https://doi.org/10.3390/M1367 - 18 May 2022

Abstract

Manganese is an abundant element that plays critical roles and is at the reaction center of several enzymes. In order to promote an understanding of the behavior of manganese(II) ion with several aliphatic ligands, in this work, the stability and spectral behavior of [...] Read more.

Manganese is an abundant element that plays critical roles and is at the reaction center of several enzymes. In order to promote an understanding of the behavior of manganese(II) ion with several aliphatic ligands, in this work, the stability and spectral behavior of the complexes with manganese(II) and ethylenediamine, 1,3-propanediamine or 1,4-butanediamine were explored. A spectrophotometric study of its speciation in methanol was performed at 293 K. The formation constants obtained for these systems were: manganese(II)-ethylenediamine log β₁₁₀ = 3.98 and log β₁₂₀ = 7.51; for the manganese(II)-1,3-propanediamine log β₁₁₀ = 5.08 and log β₁₂₀ = 8.66; and for manganese(II)-1,4-butanediamine log β₁₁₀ = 4.36 and log β₁₂₀ = 8.46. These results were obtained by fitting the experimental spectrophotometric data using the HypSpec software. The complexes reported in this study show a spectral pattern that could be related to a chelate effect in which the molar absorbance is not directly related to the increase in the carbon chain of the ligands. Full article

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Open AccessCommunication

Microwave Assisted Synthesis, Crystal Structure and Hirshfeld Surface Analysis of Some 2-Formimidate-3-carbonitrile Derivatives Bearing 4H-Pyran and Dihydropyridine Moieties

by

Sizwe J. Zamisa

and

Bernard Omondi

Molbank 2022, 2022(2), M1364; https://doi.org/10.3390/M1364 - 16 May 2022

Abstract

Two 4H-pyran- and four dihydropyridine-based 2-formimidate-3-carbonitrile derivatives were synthesized via the conventional solvothermal and microwave radiation methods. The use of the latter technique led to the formation of the desired products in the order of minutes as compared to the former. The formation [...] Read more.

Two 4H-pyran- and four dihydropyridine-based 2-formimidate-3-carbonitrile derivatives were synthesized via the conventional solvothermal and microwave radiation methods. The use of the latter technique led to the formation of the desired products in the order of minutes as compared to the former. The formation of the 2-formimidate-3-carbonitrile derivatives was confirmed using spectroscopic techniques whilst the molecular geometry and intermolecular interactions were investigated using single-crystal X-ray diffraction. The formimidate functional group was found to adopt an E configuration in all compounds and this coincides with those of closely related compounds on the Cambridge Structural Database (CSD). Classical but weak intermolecular C—H…O, C—H…N and C—H…π hydrogen bonds were observed in the crystal lattice. According to the Hirshfeld surface analysis, the C—H…π hydrogen bonds contributed the most towards the Hirshfeld surface (14.3–23.9%) than the other two hydrogen bonding types (9.6–12.7%). Full article

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Open AccessCommunication

Probing Adamantane Arylhydroxamic Acids against Trypanosoma brucei and Trypanosoma cruzi

by

Angeliki Sofia Foscolos

,

Andrew Tsotinis

,

Martin C. Taylor

,

John M. Kelly

and

Ioannis P. Papanastasiou

Molbank 2022, 2022(2), M1363; https://doi.org/10.3390/M1363 - 15 May 2022

Abstract

In this work, we present the synthesis and the anti-trypanosomal activity of the 2-(4-(adamant-1-yl)phenyl)-N-hydroxyarylamides, 1a,b and the 2-(4-(adamant-1-yl)phenoxy)-N-hydroxyacetamide, 1c. The 4-(adamant-1-yl)phenyl- and 4-(adamant-1-yl)phenoxy- moieties, which are endowed with promising drug-like properties, are functionalized at the side [...] Read more.

In this work, we present the synthesis and the anti-trypanosomal activity of the 2-(4-(adamant-1-yl)phenyl)-N-hydroxyarylamides, 1a,b and the 2-(4-(adamant-1-yl)phenoxy)-N-hydroxyacetamide, 1c. The 4-(adamant-1-yl)phenyl- and 4-(adamant-1-yl)phenoxy- moieties, which are endowed with promising drug-like properties, are functionalized at the side chain termini as hydroxamic acids. The phenoxy acetohydroxamic derivative, 1c, shows the most interesting profile in terms of activity and toxicity against trypanosomes and merits further investigation. Full article

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Open AccessShort Note

4-Bromobenzo[1,2-d:4,5-d′]bis([1,2,3]thiadiazole)

by

Timofey N. Chmovzh

,

Daria A. Alekhina

,

Timofey A. Kudryashev

and

Oleg A. Rakitin

Molbank 2022, 2022(2), M1362; https://doi.org/10.3390/M1362 - 12 May 2022

Abstract

Bromoderivatives of benzofused 1,2,5-thiadiazoles are important precursors for the synthesis of dyes, which are widely used to design effective photovoltaic materials. In this study, 4-bromobenzo[1,2-d:4,5-d′]bis([1,2,3]thiadiazole was selectively obtained from the bromination of benzo[1,2-d:4,5-d′]bis([1,2,3]thiadiazole. The structure [...] Read more.

Bromoderivatives of benzofused 1,2,5-thiadiazoles are important precursors for the synthesis of dyes, which are widely used to design effective photovoltaic materials. In this study, 4-bromobenzo[1,2-d:4,5-d′]bis([1,2,3]thiadiazole was selectively obtained from the bromination of benzo[1,2-d:4,5-d′]bis([1,2,3]thiadiazole. The structure of the newly synthesized compound was established by means of elemental analysis, high-resolution mass spectrometry, ¹H-, ¹³C-NMR, IR and UV spectroscopy and mass spectrometry. Full article

(This article belongs to the Special Issue Heteroatom Rich Organic Heterocycles)

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Scheme 1

Open AccessCommunication

Synthesis of 8-Aminoquinoline Amides of Ursonic and Oleanonic Acid

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Molbank 2022, 2022(2), M1361; https://doi.org/10.3390/M1361 - 11 May 2022

Abstract

8-Aminoquinoline amides of 3-oxo-olean-12-en-28-oic acid and 3-oxo-urs-12-en-28-oic acid were obtained and characterized by ¹H, ¹³C-NMR and single crystal X-ray analysis. The used triterpenoic acids are oxidized forms of naturally occurring oleanolic acid and ursolic acids. Such types of derivatives are known [...] Read more.

8-Aminoquinoline amides of 3-oxo-olean-12-en-28-oic acid and 3-oxo-urs-12-en-28-oic acid were obtained and characterized by ¹H, ¹³C-NMR and single crystal X-ray analysis. The used triterpenoic acids are oxidized forms of naturally occurring oleanolic acid and ursolic acids. Such types of derivatives are known for their anticancer and antiviral activities. On the other hand, 8-aminoquinoline amides are frequently used for transition metal complexation that is applicable for both C-H activation processes and biological activity studies. Full article

(This article belongs to the Special Issue Quinoline, Derivatives and Applications)

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Open AccessCommunication

X-ray Structure Determination of Naphthalen-2-yl 1-(Benzamido(diethoxyphosphoryl)methyl)-1H-1,2,3-triazole-4-carboxylate

by

Serigne Abdou Khadir Fall

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Molbank 2022, 2022(2), M1360; https://doi.org/10.3390/M1360 - 10 May 2022

Abstract

We have previously published on a new triazolic phosphonic α-amino ester in position 4 on the triazole ring of a naphthalene ester. The aim of the present paper was to describe its crystallographic study by XRD. The crystal structure of naphthalen-2-yl 1-(benzamido(diethoxyphosphoryl)methyl)-1H [...] Read more.

We have previously published on a new triazolic phosphonic α-amino ester in position 4 on the triazole ring of a naphthalene ester. The aim of the present paper was to describe its crystallographic study by XRD. The crystal structure of naphthalen-2-yl 1-(benzamido(diethoxyphosphoryl)methyl)-1H-1,2,3-triazole-4-carboxylate was determined by single-crystal X-ray diffraction. This compound crystallizes in the monoclinic system, space group P2₁/c. The naphthalene system is almost planar and makes dihedral angles of 67.1(2)° and 63.9(2)° with the triazole ring and the phenyl cycle, respectively. The phosphorus atom is surrounded by three oxygen atoms and one carbon atom building a distorted tetrahedron. It is also noted, that one of the two ethyl groups is disordered. In the crystal, the molecules are connected through C-H…O and N-H…O hydrogen bonds to build dimers that are linked together by C-H…O hydrogen bonds, in addition to C-H…π interactions. The presence of an intramolecular hydrogen bond contributes to the stability of the molecular conformation by completing the S(5) cycle. Full article

(This article belongs to the Section Structure Determination)

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Graphical abstract

Open AccessCommunication

Synthesis and Characterization of Two Isostructural POCOP Ni(II) Pincer Complexes Containing Fluorothiophenolate Ligands: [Ni(SC₆F₄-4-H){C₆H₂-3-(C₂H₃O)-2,6-(OPⁱPr₂)₂}] and [Ni(SC₆F₅){C₆H₂-3-(C₂H₃O)-2,6-(OPⁱPr₂)₂}]

by

Eric G. Morales-Espinosa

,

Naytze Ortiz-Pastrana

,

Valente Gómez-Benítez

,

Reyna Reyes-Martínez

,

Hilda Amelia Piñón-Castillo

,

Laura A. Manjarrez-Nevárez

,

Juan M. German-Acacio

and

David Morales-Morales

Molbank 2022, 2022(2), M1359; https://doi.org/10.3390/M1359 - 09 May 2022

Abstract

Among their many applications, metal pincer complexes are of interest for their properties as catalysts in cross-coupling reactions. Pincer ligands exhibit tridentate coordination to the metal center and occupy the meridional positions forming two chelate rings. The two Ni(II) POCOP pincer complexes with [...] Read more.

Among their many applications, metal pincer complexes are of interest for their properties as catalysts in cross-coupling reactions. Pincer ligands exhibit tridentate coordination to the metal center and occupy the meridional positions forming two chelate rings. The two Ni(II) POCOP pincer complexes with a fluorothiophenolate ligand reported herein, with formulas [Ni(SC₆F₄-4-H){C₆H₂-3-(C₂H₃O)-2,6-(OPⁱPr₂)₂}] (2) and [Ni(SC₆F₅){C₆H₂-3-(C₂H₃O)-2,6-(OPⁱPr₂)₂}] (3), are isostructural. Additionally, they are prepared in a facile manner from the chloride compound [NiCl{C₆H₂-3-(C₂H₃O)-2-6-(OPⁱPr₂)₂}] (1). The complexes exhibited slightly distorted square planar geometries around the metal. The fluorothiophenolate ligands are responsible of the C—H···F, C—F···π and C=O···π_F interactions that contribute to stabilize the crystal structure arrays. Full article

(This article belongs to the Section Structure Determination)

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Open AccessCommunication

A Concise Synthesis towards Antimalarial Quinazolinedione TCMDC-125133 and Its Anti-Proliferative Activity against MCF-7

by

Sitthivut Charoensutthivarakul

,

Duangporn Lohawittayanan

,

Phongthon Kanjanasirirat

,

Kedchin Jearawuttanakul

,

Sawinee Seemakhan

,

Suparerk Borwornpinyo

and

Matthew Phanchana

Molbank 2022, 2022(2), M1358; https://doi.org/10.3390/M1358 - 21 Apr 2022

Abstract

Quinazolinedione is one of the most notable pharmacophores in drug discovery due to its broad spectrum of biological activities including antimalarial, anticancer, anti-inflammatory, and others. TCMDC-125133, whose structure features a quinazolinedione core, exhibits promising antimalarial activity and low toxicity as described in the [...] Read more.

Quinazolinedione is one of the most notable pharmacophores in drug discovery due to its broad spectrum of biological activities including antimalarial, anticancer, anti-inflammatory, and others. TCMDC-125133, whose structure features a quinazolinedione core, exhibits promising antimalarial activity and low toxicity as described in the GlaxoSmithKline (GSK) report. Herein, a concise four-step synthesis towards quinazolinedione TCMDC-125133 is described using low cost goods and greener alternatives where possible. All synthesized compounds were characterized using polarimetry, IR, NMR, and mass spectrometry. The in-house synthesized TCMDC-125133 was evaluated for its antimalarial activity against P. falciparum 3D7 and antiproliferative activity against MCF-7 cell line. Full article

(This article belongs to the Special Issue Quinoline, Derivatives and Applications)

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Open AccessShort Note

2-(5-Acetyl-7-methoxy-2-(4-methoxyphenyl)benzofuran-3-yl)acetic Acid

by

Boris V. Lichitsky

,

Andrey N. Komogortsev

and

Valeriya G. Melekhina

Molbank 2022, 2022(2), M1357; https://doi.org/10.3390/M1357 - 01 Apr 2022

Cited by 1

Abstract

We elaborated a convenient one-step approach for the synthesis of previously unknown 2-(5-acetyl-7-methoxy-2-(4-methoxyphenyl)benzofuran-3-yl)acetic acid. The suggested protocol includes the multicomponent reaction of acetovanillone, 4-methoxyphenylglyoxal and Meldrum’s acid. We have demonstrated that the considered reaction is a one-pot telescoped process including the preliminary condensation [...] Read more.

We elaborated a convenient one-step approach for the synthesis of previously unknown 2-(5-acetyl-7-methoxy-2-(4-methoxyphenyl)benzofuran-3-yl)acetic acid. The suggested protocol includes the multicomponent reaction of acetovanillone, 4-methoxyphenylglyoxal and Meldrum’s acid. We have demonstrated that the considered reaction is a one-pot telescoped process including the preliminary condensation of the components in MeCN followed by acid-catalyzed cyclization. The structure of the synthesized product was confirmed by ¹H, ¹³C-NMR spectroscopy and high-resolution mass-spectrometry. Full article

(This article belongs to the Section Organic Synthesis)

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Graphical abstract

Open AccessShort Note

4′-(N-(Propargyl)pyrrol-2-yl)-2,2′:6′,2′′-terpyridine

by

Jérôme Husson

and

Laurent Guyard

Molbank 2022, 2022(2), M1356; https://doi.org/10.3390/M1356 - 25 Mar 2022

Abstract

A new terpyridine molecule, bearing a N-propargylated pyrrole, was prepared and characterized. Its synthesis was based on a Krohnke-type reaction between 2-acetylpyridine and N-propargylpyrrole-2-carboxaldehyde in a basic medium. An allene-containing terpyridine was also obtained as a by-product. Full article

(This article belongs to the Section Organic Synthesis)

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Open AccessShort Note

6,6′-Di-(2″-thiophenol)-2,2′-bipyridine

by

Yan Huang

and

Lianpeng Tong

Molbank 2022, 2022(2), M1355; https://doi.org/10.3390/M1355 - 24 Mar 2022

Abstract

This short note describes the synthesis of compound 6,6′-di-(2″-thiophenol)-2,2′-bipyridine from its methyl phenyl sulfane precursor via deprotection of the methyl groups. The product as well as the intermediate in the synthetic route have been characterized by UV-Vis spectroscopy, ¹H- and ¹³C-NMR [...] Read more.

This short note describes the synthesis of compound 6,6′-di-(2″-thiophenol)-2,2′-bipyridine from its methyl phenyl sulfane precursor via deprotection of the methyl groups. The product as well as the intermediate in the synthetic route have been characterized by UV-Vis spectroscopy, ¹H- and ¹³C-NMR spectroscopy, FT-IR spectroscopy, and HR-MS analysis. This work presents a rare example of tetradentate chelators that bears pyridyl backbones and thiophenol donors for the coordination with 3d-transition metal cations. Full article

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Open AccessShort Note

(Z)-2-{[(4-Chloro-5H-1,2,3-dithiazol-5-ylidene)amino](methylthio)methylene}malononitrile

by

Andreas S. Kalogirou

and

Panayiotis A. Koutentis

Molbank 2022, 2022(1), M1354; https://doi.org/10.3390/M1354 - 13 Mar 2022

Abstract

Reaction of 4,5-dichloro-1,2,3-dithiazolium chloride with 2-[amino(methylthio)methylene])malononitrile (1 equiv) in the presence of pyridine (2 equiv) gave (Z)-2-{[(4-chloro-5H-1,2,3-dithiazol-5-ylidene)amino](methylthio)methylene}malononitrile in 20% yield. The compound was fully characterized. Full article

(This article belongs to the Section Organic Synthesis)

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Scheme 1

Open AccessCommunication

Design, Synthesis and 5-HT_1A Binding Affinity of N-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propyl)tricyclo[3.3.1.1^3,7]decan-1-amine and N-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propyl)-3,5-dimethyl-tricylo[3.3.1.1^3,7]decan-1-amine

by

Grigoris Zoidis

,

María Isabel Loza

and

Marco Catto

Molbank 2022, 2022(1), M1353; https://doi.org/10.3390/M1353 - 10 Mar 2022

Abstract

Based on previously highlighted structural features, the development of highly selective 5-HT_1A receptor inhibitors is closely linked to the incorporation of a 4-alkyl-1-arylpiperazine scaffold on them. In this paper, we present the synthesis of two new compounds bearing the 2-MeO-Ph-piperazine moiety linked [...] Read more.

Based on previously highlighted structural features, the development of highly selective 5-HT_1A receptor inhibitors is closely linked to the incorporation of a 4-alkyl-1-arylpiperazine scaffold on them. In this paper, we present the synthesis of two new compounds bearing the 2-MeO-Ph-piperazine moiety linked via a three carbon atom linker to the amine group of 1-adamantanamine and memantine, respectively. Both were tested for their binding affinity against 5-HT_1A receptor. N-(3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl)tricyclo[3.3.1.1^3,7]decan-1-amine fumarate (8) and N-(3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl)-3,5-dimethyl-tricylo[3.3.1.1^3,7]decan-1-amine fumarate (10) proved to be highly selective ligands towards 5-HT_1A receptor with a binding constant of 1.2 nM and 21.3 nM, respectively, while 5-carboxamidotriptamine (5-CT) (2) was used as an internal standard for this assay with a measured K_i = 0.5 nM. Full article

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Open AccessCommunication

In Silico Evaluation of a Promising Key Intermediate Thieno [2,3-d] Pyrimidine Derivative with Expected JAK2 Kinase Inhibitory Activity

by

Elshaymaa I. Elmongy

and

Hanan Ali Henidi

Molbank 2022, 2022(1), M1352; https://doi.org/10.3390/M1352 - 09 Mar 2022

Abstract

This work describes the synthesis and the cytotoxic evaluation of thiophene and thienopyrimidine derivatives. The investigated compound was subjected to target prediction that indicated its high affinity to kinases and to Janus kinase 2 (JAK2) specifically. Molecular docking screening was performed on three [...] Read more.

This work describes the synthesis and the cytotoxic evaluation of thiophene and thienopyrimidine derivatives. The investigated compound was subjected to target prediction that indicated its high affinity to kinases and to Janus kinase 2 (JAK2) specifically. Molecular docking screening was performed on three different JAK2 proteins downloaded from the Protein Data Bank (PDB: 5AEP, 4C62 and 3ZMM). In vitro kinase inhibitory activity was evaluated and then compound cytotoxicity was performed on three different cancerous cell lines (HT-29, HepG-2, and MCF-7). Marked cytotoxic activity of the thienopyrimidine derivative against the HepG-2 cell line was demonstrated, reflected by its IC₅₀ value of 8.001 ± 0.0445 μM, which is better than that of the reference standard (IC₅₀ 13.91 ± 2.170 μM). Pharmacokinetic studies revealed good well permeability and GI absorption with no violations against Lipinski’s rule. Full article

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Open AccessShort Note

2-Bromo-3-((1-(7-chloroquinolin-4-yl)-1H-1,2,3-triazol-4-yl)-methoxy)-benzaldehyde

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Molbank 2022, 2022(1), M1351; https://doi.org/10.3390/M1351 - 09 Mar 2022

Abstract

The 1,2,3-triazole ring system can be easily obtained by copper-catalyzed click reaction of azides with alkynes. 1,2,3-Triazole exhibits a myriad of biological activities, including antimalarial, antibacterial, and antiviral activities. We herein reported the synthesis of quinoline-based [¹,²,³]-triazole [...] Read more.

The 1,2,3-triazole ring system can be easily obtained by copper-catalyzed click reaction of azides with alkynes. 1,2,3-Triazole exhibits a myriad of biological activities, including antimalarial, antibacterial, and antiviral activities. We herein reported the synthesis of quinoline-based [¹,²,³]-triazole hybrid via Cu(I)-catalyzed click reaction of 4-azido-7-chloroquinoline with alkyne derivative of 2-bromobenzaldehyde. The compound was fully characterized by proton nuclear magnetic resonance (¹H-NMR), carbon-13 nuclear magnetic resonance (¹³C-NMR), heteronuclear single quantum coherence (HSQC), ultraviolet (UV), and high-resolution mass spectroscopies (HRMS). This compound was screened in vitro against two different normal cell lines. Preliminary studies attempted to evaluate its interaction with Delta RBD of spike protein of SARS-CoV-2 by bio-layer interferometry. Finally, the drug-likeness of the compound was also investigated by predicting its pharmacokinetic properties. Full article

(This article belongs to the Section Organic Synthesis)

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Open AccessCommunication

Synthesis of New 1,2,3,4-Tetrahydroquinoline Hybrid of Ibuprofen and Its Biological Evaluation

by

Stanimir Manolov

,

Iliyan Ivanov

and

Dimitar Bojilov

Molbank 2022, 2022(1), M1350; https://doi.org/10.3390/M1350 - 07 Mar 2022

Abstract

Herein we report the obtaining of 1-(3,4-dihydroquinolin-1(2H)-yl)-2- (4-isobutylphenyl)propan-1-one and its characterization. The newly obtained hybrid and its derivatives (hybrids of ibuprofen with 1,2,3,4-tetrahydroisoquinoline, and piperidine) were screened for their in vitro antioxidant, antitryptic, and inhibition of albumin denaturation activity. The lipophilicity was established [...] Read more.

Herein we report the obtaining of 1-(3,4-dihydroquinolin-1(2H)-yl)-2- (4-isobutylphenyl)propan-1-one and its characterization. The newly obtained hybrid and its derivatives (hybrids of ibuprofen with 1,2,3,4-tetrahydroisoquinoline, and piperidine) were screened for their in vitro antioxidant, antitryptic, and inhibition of albumin denaturation activity. The lipophilicity was established using both reversed-phase thin layer chromatography and in silico calculations. Full article

(This article belongs to the Special Issue Quinoline, Derivatives and Applications)

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