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3-[(1H-Benzo[d][1,2,3]triazol-1-yl)oxy]propyl 9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylate

School of Pharmacy, Macau University of Science and Technology, Macau 999078, China
Department of Molecular and Translational Medicine, University of Brescia, 25121 Brescia, Italy
Authors to whom correspondence should be addressed.
Academic Editor: Panayiotis A. Koutentis
Molbank 2022, 2022(3), M1419;
Received: 21 July 2022 / Revised: 1 August 2022 / Accepted: 2 August 2022 / Published: 4 August 2022
We herein report on the synthesis of a pentacyclic triterpene functionalized through derivation of betulinic acid with hydroxybenzotriazole. The compound was fully characterized by proton (1H-NMR), carbon-13 (13C-NMR), heteronuclear single quantum coherence (HSQC) and distortionless enhancement by polarization transfer (DEPT-135 and DEPT-90) nuclear magnetic resonance. Ultraviolet (UV), and Fourier-transform infrared (FTIR) spectroscopies as well as and high-resolution mass spectrometry (HRMS) were also adopted. Computational studies were conducted to foresee the interactions between compound 3 and phosphodiesterase 9, a relevant target in the field of neurodegenerative diseases. Additionally, preliminary calculation of physico-chemical descriptors was performed to evaluate the drug-likeness of compound 3. View Full-Text
Keywords: betulinic acid; phosphodiesterases; dementia; molecular docking; drug discovery betulinic acid; phosphodiesterases; dementia; molecular docking; drug discovery
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MDPI and ACS Style

Jiang, A.; Anyanwu, M.; Leong, K.; Li, J.; Gianoncelli, A.; Coghi, P.; Ribaudo, G. 3-[(1H-Benzo[d][1,2,3]triazol-1-yl)oxy]propyl 9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylate. Molbank 2022, 2022, M1419.

AMA Style

Jiang A, Anyanwu M, Leong K, Li J, Gianoncelli A, Coghi P, Ribaudo G. 3-[(1H-Benzo[d][1,2,3]triazol-1-yl)oxy]propyl 9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylate. Molbank. 2022; 2022(3):M1419.

Chicago/Turabian Style

Jiang, Ai, Margrate Anyanwu, Kafai Leong, Jinxin Li, Alessandra Gianoncelli, Paolo Coghi, and Giovanni Ribaudo. 2022. "3-[(1H-Benzo[d][1,2,3]triazol-1-yl)oxy]propyl 9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylate" Molbank 2022, no. 3: M1419.

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