Further studies with the 2-amino-1,3-thiazol-4(5H)-one class of 11beta-hydroxysteroid dehydrogenase type 1 inhibitors: reducing pregnane X receptor activity and exploring activity in a monkey pharmacodynamic model

J Med Chem. 2008 Dec 25;51(24):7953-67. doi: 10.1021/jm801073z.

Abstract

A series of compounds containing the 2-amino-1,3-thiazol-4(5H)-one core were found to be potent inhibitors of the enzyme 11beta-hydroxysteroid dehydrogenase type 1 (11beta-HSD1). One of our lead compounds from this series activated the human nuclear xenobiotic receptor, pregnane X receptor (PXR). To try and mitigate the PXR activity, we prepared analogues of our lead series that contained polar groups on the right-hand side of the thiazolone. Several analogues containing amides or alcohols appended to the C-5 position of the thiazolone showed a significant reduction in PXR activity. Through these structure-activity efforts, a compound containing a tert-alcohol group off the C-5 position, analogue (S)-33a, was found to have an 11beta-HSD1 Ki = 35 nM and negligible PXR activity. Compound (S)-33a was advanced into a pharmacodynamic model in cynomolgus monkeys, where it inhibited adipose 11beta-HSD1 activity after being orally administered.

MeSH terms

  • 11-beta-Hydroxysteroid Dehydrogenase Type 1 / antagonists & inhibitors*
  • 11-beta-Hydroxysteroid Dehydrogenase Type 1 / chemistry
  • Animals
  • Chemistry, Pharmaceutical / methods
  • Crystallography, X-Ray / methods
  • Cytochrome P-450 CYP3A / chemistry
  • Drug Design
  • Enzyme Inhibitors / pharmacology*
  • Humans
  • Kinetics
  • Macaca fascicularis
  • Male
  • Models, Molecular
  • Molecular Conformation
  • Pregnane X Receptor
  • Receptors, Steroid / metabolism*
  • Tissue Distribution

Substances

  • Enzyme Inhibitors
  • Pregnane X Receptor
  • Receptors, Steroid
  • 11-beta-Hydroxysteroid Dehydrogenase Type 1
  • Cytochrome P-450 CYP3A
  • CYP3A4 protein, human