Discovery of a Potent, Selective T-type Calcium Channel Blocker as a Drug Candidate for the Treatment of Generalized Epilepsies

J Med Chem. 2017 Dec 14;60(23):9769-9789. doi: 10.1021/acs.jmedchem.7b01236. Epub 2017 Nov 20.

Abstract

We report here the discovery and pharmacological characterization of N-(1-benzyl-1H-pyrazol-3-yl)-2-phenylacetamide derivatives as potent, selective, brain-penetrating T-type calcium channel blockers. Optimization focused mainly on solubility, brain penetration, and the search for an aminopyrazole metabolite that would be negative in an Ames test. This resulted in the preparation and complete characterization of compound 66b (ACT-709478), which has been selected as a clinical candidate.

MeSH terms

  • Animals
  • Benzeneacetamides / chemistry*
  • Benzeneacetamides / metabolism
  • Benzeneacetamides / pharmacokinetics
  • Benzeneacetamides / pharmacology*
  • Brain / drug effects
  • Brain / metabolism
  • Calcium Channel Blockers / chemistry*
  • Calcium Channel Blockers / metabolism
  • Calcium Channel Blockers / pharmacokinetics
  • Calcium Channel Blockers / pharmacology*
  • Calcium Channels, T-Type / metabolism*
  • Dogs
  • Drug Discovery
  • Epilepsy, Generalized / drug therapy*
  • Epilepsy, Generalized / metabolism
  • Guinea Pigs
  • Humans
  • Macaca fascicularis
  • Pyrazoles / chemistry
  • Pyrazoles / pharmacology
  • Rats, Wistar
  • Structure-Activity Relationship

Substances

  • Benzeneacetamides
  • Calcium Channel Blockers
  • Calcium Channels, T-Type
  • Pyrazoles
  • 2-phenylacetamide