Cyclopentane-based human NK1 antagonists. Part 1: discovery and initial SAR

Bioorg Med Chem Lett. 2006 Sep 1;16(17):4497-503. doi: 10.1016/j.bmcl.2006.06.035. Epub 2006 Jul 7.

Abstract

An initial investigation of the novel cyclopentane scaffold 6 afforded low nanomolar human NK1 antagonists having enhanced water solubility properties compared to morpholine 1. A synthesis of this cyclopentane scaffold, having three contiguous chiral centers, and the unexpected determination that the 1,2-trans-2,3-trans-ring stereochemistry, as opposed to the cis-ether/phenyl configuration of the known structures 1-5, is optimal for this class of antagonist are described.

MeSH terms

  • Cyclopentanes / chemistry*
  • Humans
  • Molecular Structure
  • Neurokinin-1 Receptor Antagonists*
  • Receptors, Neurokinin-1 / metabolism
  • Solubility
  • Structure-Activity Relationship

Substances

  • Cyclopentanes
  • Neurokinin-1 Receptor Antagonists
  • Receptors, Neurokinin-1