Discovery, synthesis and SAR of azinyl- and azolylbenzamides antagonists of the P2X₇ receptor

Bioorg Med Chem Lett. 2011 Sep 15;21(18):5475-9. doi: 10.1016/j.bmcl.2011.06.117. Epub 2011 Jul 2.

Abstract

The discovery, of a series of 2-Cl-5-heteroaryl-benzamide antagonists of the P2X(7) receptor via parallel medicinal chemistry is described. Initial analogs suffered from poor metabolic stability and low Vd(ss). Multi parametric optimization led to identification of pyrazole 39 as a viable lead with excellent potency and oral bioavailability. Further attempts to improve the low Vd(ss) of 39 via introduction of amines led to analogs 40 and 41 which maintained the favorable pharmacology profile of 39 and improved Vd(ss) after iv dosing. But these analogs suffered from poor oral absorption, probably driven by poor permeability.

MeSH terms

  • Animals
  • Benzamides / chemical synthesis
  • Benzamides / chemistry
  • Benzamides / pharmacology*
  • Chemistry Techniques, Synthetic
  • Dose-Response Relationship, Drug
  • Drug Discovery*
  • Humans
  • Molecular Structure
  • Purinergic P2X Receptor Antagonists / chemical synthesis*
  • Purinergic P2X Receptor Antagonists / chemistry
  • Purinergic P2X Receptor Antagonists / pharmacology*
  • Receptors, Purinergic P2X7 / metabolism*
  • Stereoisomerism
  • Structure-Activity Relationship

Substances

  • Benzamides
  • Purinergic P2X Receptor Antagonists
  • Receptors, Purinergic P2X7