Design, synthesis, and structure-activity relationships of a series of novel N-aryl-2-phenylcyclopropanecarboxamide that are potent and orally active orexin receptor antagonists

Bioorg Med Chem. 2014 Nov 1;22(21):6071-88. doi: 10.1016/j.bmc.2014.08.034. Epub 2014 Sep 8.

Abstract

Herein we describe the design, synthesis, and structure-activity relationships (SARs) of a novel phenylcyclopropane series represented by 7 and 33 b as antagonists of orexin 1 and orexin 2 receptors. With 4 serving as the initial lead for the development of orexin antagonists, exploration of SAR resulted in improved binding affinity for orexin 1 and orexin 2 receptors. Among the synthesized compounds, 33 b ((-)-N-(5-cyanopyridin-2-yl)-2-[(3,4-dimethoxyphenyl)oxymethyl]-2-phenylcyclopropanecarboxamide) exhibited potent in vitro activity and oral efficacy in animal sleep measurement experiments. The results of our study suggest that compound 33 b may serve as a valuable template for the development of new orexin receptor antagonists.

Keywords: Hypocretin; Insomnia; Orexin receptor antagonist; Sleep disorder.

MeSH terms

  • Animals
  • Cyclopropanes / chemical synthesis
  • Cyclopropanes / chemistry*
  • Cyclopropanes / pharmacokinetics
  • Cyclopropanes / pharmacology*
  • Drug Design
  • Humans
  • Male
  • Mice
  • Mice, Inbred C57BL
  • Models, Molecular
  • Orexin Receptor Antagonists*
  • Orexin Receptors / metabolism
  • Sleep / drug effects
  • Sleep Initiation and Maintenance Disorders / drug therapy
  • Structure-Activity Relationship

Substances

  • Cyclopropanes
  • Orexin Receptor Antagonists
  • Orexin Receptors