Synthesis and structure-activity relationship study of a new series of selective σ(1) receptor ligands for the treatment of pain: 4-aminotriazoles

J Med Chem. 2015 Mar 12;58(5):2441-51. doi: 10.1021/jm501920g. Epub 2015 Feb 19.

Abstract

The synthesis and pharmacological activity of a new series of 4-aminotriazoles as potent σ1 receptor (σ1R) ligands are reported. The compounds were prepared using a 4-5-step process, involving as a key step a click chemistry reaction between ynamides and azides. The most active compounds exhibited nanomolar potency for the σ1R, and the selectivity over the σ2R was improved on decreasing the central amine basicity. It was concluded that in order to achieve good σ1R potency a minimum lipophilicity was required, while limiting to a defined range of cLogP avoided human ether-a-go-go-related gene channel inhibition. This made the most interesting derivatives to be concentrated in a narrow margin of lipophilicity. Among them, compound 13g exhibited the most potent in vivo antinociceptive properties, which are indicative of its antagonist character.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Analgesics / chemical synthesis*
  • Analgesics / pharmacology*
  • Animals
  • Brain / drug effects
  • Cell Membrane / drug effects
  • Drug Evaluation, Preclinical
  • Ether-A-Go-Go Potassium Channels / antagonists & inhibitors
  • Guinea Pigs
  • HEK293 Cells
  • Humans
  • Male
  • Mice
  • Molecular Structure
  • Morpholines / chemical synthesis*
  • Morpholines / pharmacology*
  • Nociceptive Pain / drug therapy*
  • Radioligand Assay
  • Receptors, sigma / antagonists & inhibitors*
  • Sigma-1 Receptor
  • Structure-Activity Relationship
  • Triazoles / chemical synthesis*
  • Triazoles / pharmacology*

Substances

  • 1-(3,4-dichlorobenzyl)-N-(2-morpholinoethyl)-1H-1,2,3-triazol-4-amine
  • Analgesics
  • Ether-A-Go-Go Potassium Channels
  • Morpholines
  • Receptors, sigma
  • Triazoles