An orally active, water-soluble neurokinin-1 receptor antagonist suitable for both intravenous and oral clinical administration

J Med Chem. 2001 Nov 22;44(24):4296-9. doi: 10.1021/jm0109558.

Abstract

1-(5-[[(2R,3S)-2-([(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethyl]oxy)-3-(4-fluorophenyl)morpholin-4-yl]methyl]-2H-1,2,3-triazol-4-yl)-N,N-dimethylmethanamine hydrochloride 3 is a high affinity, orally active, h-NK(1) receptor antagonist with a long central duration of action and a solubility in water of >100 mg/mL. The construction of the 5-dimethylaminomethyl 1,2,3-triazol-4-yl unit, which incorporates the solubilizing group of 3, was accomplished by thermal rearrangement of a propargylic azide in the presence of dimethylamine. Compound 3 is highly effective in pre-clinical tests that are relevant to clinical efficacy in emesis and depression.

MeSH terms

  • Administration, Oral
  • Amines / chemical synthesis
  • Amines / chemistry
  • Amines / pharmacology
  • Animals
  • Animals, Newborn
  • Antidepressive Agents / chemical synthesis*
  • Antidepressive Agents / chemistry
  • Antidepressive Agents / pharmacology
  • Antiemetics / chemical synthesis*
  • Antiemetics / chemistry
  • Antiemetics / pharmacology
  • Brain / drug effects
  • Brain / metabolism
  • Dogs
  • Ferrets
  • Gerbillinae
  • Guinea Pigs
  • In Vitro Techniques
  • Injections, Intravenous
  • Macaca mulatta
  • Morpholines / chemical synthesis*
  • Morpholines / chemistry
  • Morpholines / pharmacology
  • Neurokinin-1 Receptor Antagonists*
  • Radioligand Assay
  • Rats
  • Solubility
  • Structure-Activity Relationship
  • Triazoles / chemical synthesis*
  • Triazoles / chemistry
  • Triazoles / pharmacology
  • Vocalization, Animal / drug effects

Substances

  • 1-(5-((2-((1-(3,5-bis(trifluoromethyl)phenyl)ethyl)oxy)-3-(4-fluorophenyl)morpholin-4-yl)methyl)-2H-1,2,3-triazol-4-yl)-N,N-dimethylmethanamine
  • Amines
  • Antidepressive Agents
  • Antiemetics
  • Morpholines
  • Neurokinin-1 Receptor Antagonists
  • Triazoles