Pyrazole-based arylalkyne cathepsin S inhibitors. Part II: optimization of cellular potency

Bioorg Med Chem Lett. 2009 Nov 1;19(21):6135-9. doi: 10.1016/j.bmcl.2009.09.013. Epub 2009 Sep 10.

Abstract

Basic lipophilic substituents dramatically improved the cellular potency of a previously disclosed series of pyrazole-based arylalkyne cathepsin S inhibitors. The incorporation of substituted benzylamines in the para position of the arylalkyne maintained enzymatic activity (hCatS IC50=80-420 nM) and imparted cellular potency (IC50=0.8-4.0 microM). Further refinement of the morpholine portion of the pharmacophore enabled the identification of bicyclic piperidines with enhanced affinity for CatS (IC50=10-30 nM) and sub-micromolar cellular potency (JY Ii IC50=200-720 nM).

MeSH terms

  • Animals
  • Cathepsins / antagonists & inhibitors*
  • Cathepsins / metabolism
  • Cell Line
  • Drug Design
  • Humans
  • Mice
  • Piperidines / chemistry
  • Protease Inhibitors / chemical synthesis
  • Protease Inhibitors / chemistry*
  • Protease Inhibitors / pharmacology
  • Pyrazoles / chemical synthesis
  • Pyrazoles / chemistry*
  • Pyrazoles / pharmacology
  • Structure-Activity Relationship

Substances

  • Piperidines
  • Protease Inhibitors
  • Pyrazoles
  • Cathepsins
  • cathepsin S