Synthesis and biological evaluation of a series of A,B-ring modified 16,17-secoandrostane derivatives

Bioorg Chem. 2008 Jun;36(3):128-32. doi: 10.1016/j.bioorg.2008.01.002. Epub 2008 Mar 4.

Abstract

The starting compound for the synthesis of 16,17-secoandrostane derivatives with the 4-en-3-on, 1,4-dien-3-on, 4,6-dien-3-on, and 1,4,6-trien-3-on systems was 3beta-hydroxy-17-methyl-16,17-secoandrost-5-en-16-nitrile-17-one (1), the Oppenauer oxidation of which yielded the corresponding 4-en-3-one derivative 2. Dehydrogenation of compound 2 with the aid of 2,3,5,6-tetrachloro-1,4-benzoquinone (chloranil) gave the three products: 17-methyl-16,17-secoandrosta-1,4-dien-3,17-dione-16-nitrile (3), 17-methyl-16,17-secoandrosta-4,6-dien-3,17-dione-16-nitrile (4), and 17-methyl-16,17-secoandrosta-1,4,6-trien-3,17-dione-16-nitrile (5). On the other hand, epoxidation of compound 2 resulted in a mixture of alpha and beta isomers of 4,5-epoxy-17-methyl-16,17-secoandrosta-3,17-dione-16-nitrile (6 and 7). Opening of the oxirane rings of the mixture of 6 and 7 by the action of formic acid yielded the 4-hydroxy-4-en derivative 8. Antiaromatase activity and in vitro cytotoxicity against three tumor cell lines (human breast adenocarcinoma ER+, MCF-7, human breast adenocarcinoma ER-, MDA-MB-231, and prostate cancer PC3) of selected compounds were evaluated. Compound 2 exhibited a relatively strong inhibition of aromatase and extremely potent cytotoxicity against PC3 cells. Compound 8 showed satisfactory cytotoxicity against MCF-7 cells.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Androstanes / chemical synthesis*
  • Androstanes / chemistry
  • Androstanes / pharmacology*
  • Antineoplastic Agents / chemistry
  • Aromatase / drug effects
  • Aromatase Inhibitors / chemistry
  • Breast Neoplasms / drug therapy
  • Breast Neoplasms / pathology
  • Cell Death
  • Cell Line, Tumor
  • Female
  • Humans
  • Male
  • Prostatic Neoplasms / drug therapy
  • Prostatic Neoplasms / pathology
  • Structure-Activity Relationship

Substances

  • Androstanes
  • Antineoplastic Agents
  • Aromatase Inhibitors
  • Aromatase