Abstract
Steroidal compounds that contain a heterocyclic ring or heteroatom in their structure usually possess good anticancer activity. The main goal of modern medicinal chemistry is to find new potent agonists or antagonists of naturally occurring hormones for the treatment of hormone-dependent cancers, such as the above-mentioned steroid derivatives. Here, we reported on a two-step synthesis of a new 17β-acetoxy-17α-(pyridin-2-yl) derivative of estra-1,3,5(10)-triene. The configuration at the C17 position was determined using the 2D NMR spectra. Furthermore, in silico ADME properties were determined for the synthesized compound. The physicochemical properties were calculated with the SwissADME web tool and compared with five different sets of criteria: Lipinski, Veber, Egan, Ghose, and Muegge. The toxicity of the synthesized compound was predicted and analyzed using a virtual lab ProTox II.
Supplementary Materials
The following are available online at https://www.mdpi.com/article/10.3390/ECMC2022-13235/s1.
Author Contributions
Conceptualization, software, investigation, data curation, writing—original draft preparation, visualization, M.S.; conceptualization, methodology, validation, resources, data curation, writing—review and editing, supervision, I.K. All authors have read and agreed to the published version of the manuscript.
Funding
This research was funded by Provincial Secretariat for Higher Education and Scientific Research, Autonomous Province of Vojvodina, grant number 142-451-2667/2021.
Institutional Review Board Statement
Not applicable.
Informed Consent Statement
Not applicable.
Data Availability Statement
Not applicable.
Conflicts of Interest
The authors declare no conflict of interest.
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