Novel acidic 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitor with reduced acyl glucuronide liability: the discovery of 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid (AZD8329)

J Med Chem. 2012 Nov 26;55(22):10136-47. doi: 10.1021/jm301252n. Epub 2012 Nov 7.

Abstract

Inhibition of 11β-HSD1 is viewed as a potential target for the treatment of obesity and other elements of the metabolic syndrome. We report here the optimization of a carboxylic acid class of inhibitors from AZD4017 (1) to the development candidate AZD8329 (27). A structural change from pyridine to pyrazole together with structural optimization led to an improved technical profile in terms of both solubility and pharmacokinetics. The extent of acyl glucuronidation was reduced through structural optimization of both the carboxylic acid and amide substituents, coupled with a reduction in lipophilicity leading to an overall increase in metabolic stability.

Publication types

  • Comparative Study

MeSH terms

  • 11-beta-Hydroxysteroid Dehydrogenase Type 1 / antagonists & inhibitors*
  • 11-beta-Hydroxysteroid Dehydrogenase Type 1 / metabolism
  • Adipose Tissue / drug effects
  • Adipose Tissue / enzymology
  • Animals
  • Benzoates / chemical synthesis
  • Benzoates / pharmacokinetics
  • Benzoates / pharmacology*
  • Dogs
  • Enzyme Inhibitors / chemical synthesis
  • Enzyme Inhibitors / pharmacokinetics
  • Enzyme Inhibitors / pharmacology*
  • Glucuronides / chemistry
  • Glucuronides / metabolism*
  • Guinea Pigs
  • Humans
  • Liver / drug effects
  • Liver / enzymology
  • Macaca fascicularis
  • Mice
  • Models, Molecular
  • Molecular Structure
  • Protein Conformation
  • Pyrazoles / chemical synthesis
  • Pyrazoles / chemistry*
  • Pyrazoles / pharmacokinetics
  • Pyrazoles / pharmacology*
  • Pyridines / chemistry*
  • Rats
  • Rats, Wistar
  • Structure-Activity Relationship
  • Substrate Specificity

Substances

  • 4-(4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl)benzoic acid
  • Benzoates
  • Enzyme Inhibitors
  • Glucuronides
  • Pyrazoles
  • Pyridines
  • pyrazole
  • 11-beta-Hydroxysteroid Dehydrogenase Type 1
  • pyridine