The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors

Bioorg Med Chem Lett. 2007 Nov 15;17(22):6056-61. doi: 10.1016/j.bmcl.2007.09.070. Epub 2007 Sep 25.

Abstract

A series of 2-anilinothiazolones were prepared as inhibitors of 11beta-hydroxysteroid dehydrogenase type 1 (11beta-HSD1). The most potent compounds contained a 2-chloro or 2-fluoro group on the aniline ring with an isopropyl substituent on the 5-position of the thiazolone ring (compounds 2 and 3, respectively). The binding mode was determined through the X-ray co-crystal structure of the enzyme with compound 3. This compound was also approximately 70-fold selective over 11beta-HSD2 and was orally bioavailable in rat pharmacokinetic studies. However, compound 3 was >580-fold less active in the 11beta-HSD1 cell assay when tested in the presence of 3% human serum albumin.

MeSH terms

  • 11-beta-Hydroxysteroid Dehydrogenase Type 1 / antagonists & inhibitors*
  • 11-beta-Hydroxysteroid Dehydrogenase Type 1 / chemistry
  • Animals
  • CHO Cells
  • Chlorine / chemistry
  • Cricetinae
  • Cricetulus
  • Crystallography, X-Ray
  • Fluorine / chemistry
  • Humans
  • Molecular Structure
  • Rats
  • Structure-Activity Relationship
  • Thiazoles / chemistry*
  • Thiazoles / classification
  • Thiazoles / pharmacology*

Substances

  • Thiazoles
  • Fluorine
  • Chlorine
  • 11-beta-Hydroxysteroid Dehydrogenase Type 1

Associated data

  • PDB/2RBE