Discovery of (R)-1-(7-chloro-2,2-bis(fluoromethyl)chroman-4-yl)-3-(3-methylisoquinolin-5-yl)urea (A-1165442): a temperature-neutral transient receptor potential vanilloid-1 (TRPV1) antagonist with analgesic efficacy

J Med Chem. 2014 Sep 11;57(17):7412-24. doi: 10.1021/jm500916t. Epub 2014 Aug 21.

Abstract

The synthesis and characterization of a series of selective, orally bioavailable 1-(chroman-4-yl)urea TRPV1 antagonists is described. Whereas first-generation antagonists that inhibit all modes of TRPV1 activation can elicit hyperthermia, the compounds disclosed herein do not elevate core body temperature in preclinical models and only partially block acid activation of TRPV1. Advancing the SAR of this series led to the eventual identification of (R)-1-(7-chloro-2,2-bis(fluoromethyl)chroman-4-yl)-3-(3-methylisoquinolin-5-yl)urea (A-1165442, 52), an analogue that possesses excellent pharmacological selectivity, has a favorable pharmacokinetic profile, and demonstrates good efficacy against osteoarthritis pain in rodents.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Analgesics / chemistry*
  • Analgesics / pharmacokinetics
  • Analgesics / pharmacology
  • Animals
  • Area Under Curve
  • Body Temperature / drug effects*
  • Body Temperature / physiology
  • Dogs
  • Dose-Response Relationship, Drug
  • Drug Discovery
  • HEK293 Cells
  • Humans
  • Isoquinolines / chemistry
  • Isoquinolines / pharmacokinetics
  • Isoquinolines / pharmacology
  • Metabolic Clearance Rate
  • Models, Chemical
  • Molecular Structure
  • Rats
  • Structure-Activity Relationship
  • TRPV Cation Channels / antagonists & inhibitors*
  • TRPV Cation Channels / chemistry
  • TRPV Cation Channels / metabolism
  • Urea / analogs & derivatives
  • Urea / chemistry*
  • Urea / pharmacokinetics
  • Urea / pharmacology

Substances

  • 1-(7-chloro-2,2-bis(fluoromethyl)chroman-4-yl)-3-(3-methylisoquinolin-5-yl)urea
  • Analgesics
  • Isoquinolines
  • TRPV Cation Channels
  • TRPV1 protein, human
  • Urea