Identification of a novel series of potent and selective CCR6 inhibitors as biological probes

Bioorg Med Chem Lett. 2018 Oct 1;28(18):3067-3072. doi: 10.1016/j.bmcl.2018.07.042. Epub 2018 Jul 30.

Abstract

CCR6 has been implicated in both autoimmune diseases and non-autoimmune diseases. Thus, inhibition of CCR6-dependent cell migration is an attractive strategy for their treatment. An orally available small molecule inhibitor of CCR6 could therefore be a useful biological probe for the pathophysiological studies. Initial SAR study of a hit compound provided potent N-benzenesulfonylpiperidine derivatives that suppressed CCL20-induced Gi signals. By subsequent scaffold morphing of the central ring and further optimization, we identified a novel series of 1,4-trans-1-benzenesulfonyl-4-aminocyclohexanes as potent and selective CCR6 inhibitors with good pharmacokinetic properties. Our compounds showed good correlation between Gi signal inhibitory activity and cell migration inhibitory activity in human CCR6-transfected CHO cells. In addition, representative compound 35 potently inhibited CCR6-dependent cell migration and the increase in ERK phosphorylation in human primary cells. Therefore, the compound could be used effectively as a biological probe against human CCR6.

Keywords: 1,4-trans-1-benzenesulfonyl-4-aminocyclohexane; Autoimmune diseases; Biological probe; CCR6; Cell migration; ERK phosphorylation; Gi signal; Non-autoimmune diseases.

MeSH terms

  • Amines / chemical synthesis
  • Amines / chemistry
  • Amines / pharmacology*
  • Animals
  • B-Lymphocytes / drug effects
  • CHO Cells
  • Cell Movement / drug effects
  • Cricetulus
  • Cyclohexanes / chemical synthesis
  • Cyclohexanes / chemistry
  • Cyclohexanes / pharmacology*
  • Dose-Response Relationship, Drug
  • Haplorhini
  • Humans
  • Molecular Structure
  • Piperidines / chemical synthesis
  • Piperidines / chemistry
  • Piperidines / pharmacology*
  • Receptors, CCR6 / antagonists & inhibitors*
  • Receptors, CCR6 / metabolism
  • Small Molecule Libraries / chemical synthesis
  • Small Molecule Libraries / chemistry
  • Small Molecule Libraries / pharmacology*
  • Structure-Activity Relationship

Substances

  • Amines
  • CCR6 protein, human
  • Cyclohexanes
  • Piperidines
  • Receptors, CCR6
  • Small Molecule Libraries
  • Cyclohexane
  • piperidine