Novel sulfone-containing di- and trisubstituted cyclohexanes as potent CC chemokine receptor 2 (CCR2) antagonists

Bioorg Med Chem Lett. 2009 Jul 1;19(13):3418-22. doi: 10.1016/j.bmcl.2009.05.041. Epub 2009 May 18.

Abstract

Potent sulfone-containing di- and trisubstituted cyclohexanes were synthesized and evaluated as CC chemokine receptor 2 (CCR2) antagonists. This led to the trisubstituted derivative 54, which exhibited excellent binding (CCR2 IC(50)=1.3nM) and functional antagonism (calcium flux IC(50)=0.5nM and chemotaxis IC(50)=0.2nM). The superiority of the trisubstituted scaffold was rationalized to be the result of a conformational rigidification, which provided insight into the bioactive conformation of this chemotype.

MeSH terms

  • Cyclohexanes / chemical synthesis*
  • Cyclohexanes / chemistry
  • Cyclohexanes / pharmacology
  • Molecular Conformation
  • Receptors, CCR2 / antagonists & inhibitors*
  • Receptors, CCR2 / metabolism
  • Sulfones / chemical synthesis
  • Sulfones / chemistry*

Substances

  • Cyclohexanes
  • Receptors, CCR2
  • Sulfones