Parallel synthesis and SAR study of novel oxa-steroids as potent and selective progesterone receptor antagonists

Bioorg Med Chem Lett. 2007 May 1;17(9):2531-4. doi: 10.1016/j.bmcl.2007.02.013. Epub 2007 Feb 8.

Abstract

Efficient parallel synthesis of novel 7-oxa-steroids 4 has been achieved from the key intermediate 3 via a one-pot four-step sequence. oxa-Steroids 4 with various ortho-, meta-, and para-monosubstituents on the phenyl ring, as well as disubstituted phenyl and heterocycles, were evaluated for progesterone receptor (PR) and glucocorticoid receptor (GR) antagonist activities. SAR study demonstrated that the para-fluorinated substituents on the phenyl ring not only increased the potency for PR in a T47D cell functional assay, but also improved the selectivity over GR in an A549 cell functional assay. The para-fluorophenyl oxa-steroid 4l and the para-trifluoromethylphenyl oxa-steroid 4p were found to be remarkably more potent and more selective PR antagonists than mifepristone, with subnanomolar potency and about 140-fold selectivity over GR. Molecular modeling of the oxa-steroid bound to PR provided meaningful insight for the SAR study. oxa-Steroids 4a and 4b were found to be more efficacious than mifepristone in vivo in a rat uterine complement C3 assay via the oral route, although they were less than or equally potent to mifepristone in the T47D assay.

MeSH terms

  • Animals
  • Cell Line, Tumor
  • Chemistry, Pharmaceutical / methods*
  • Complement C3 / metabolism
  • Drug Design
  • Female
  • Humans
  • Mifepristone / pharmacology
  • Models, Chemical
  • Protein Binding
  • Rats
  • Receptors, Glucocorticoid / antagonists & inhibitors
  • Receptors, Progesterone / antagonists & inhibitors*
  • Steroids / chemistry*
  • Structure-Activity Relationship

Substances

  • Complement C3
  • Receptors, Glucocorticoid
  • Receptors, Progesterone
  • Steroids
  • Mifepristone