Fluorine substitution can block CYP3A4 metabolism-dependent inhibition: identification of (S)-N-[1-(4-fluoro-3- morpholin-4-ylphenyl)ethyl]-3- (4-fluorophenyl)acrylamide as an orally bioavailable KCNQ2 opener devoid of CYP3A4 metabolism-dependent inhibition

J Med Chem. 2003 Aug 28;46(18):3778-81. doi: 10.1021/jm034111v.

Abstract

The formation of a reactive intermediate was found to be responsible for CYP3A4 metabolism-dependent inhibition (MDI) observed with (S)-N-[1-(3-morpholin-4-ylphenyl)ethyl]-3-phenyl-acrylamide (1). Structure-3A4 MDI relationship studies culminated in the discovery of a difluoro analogue, (S)-N-[1-(4-fluoro-3-morpholin-4-ylphenyl)ethyl]-3-(4-fluoro-phenyl)acrylamide (2), as an orally bioavailable KCNQ2 opener free of CYP3A4 MDI.

MeSH terms

  • Administration, Oral
  • Animals
  • Biological Availability
  • Cell Line
  • Cinnamates / chemical synthesis*
  • Cinnamates / metabolism
  • Cinnamates / pharmacology
  • Cytochrome P-450 CYP3A
  • Cytochrome P-450 Enzyme Inhibitors*
  • Disease Models, Animal
  • Fluorine / chemistry*
  • Injections, Intravenous
  • Ion Channel Gating
  • KCNQ2 Potassium Channel
  • Male
  • Membrane Potentials
  • Migraine Disorders / drug therapy
  • Migraine Disorders / physiopathology
  • Morpholines / chemical synthesis*
  • Morpholines / metabolism
  • Morpholines / pharmacology
  • Parietal Lobe / drug effects
  • Parietal Lobe / physiopathology
  • Patch-Clamp Techniques
  • Potassium Channels / drug effects*
  • Potassium Channels / physiology
  • Potassium Channels, Voltage-Gated
  • Rats
  • Rats, Sprague-Dawley
  • Stereoisomerism
  • Structure-Activity Relationship

Substances

  • Cinnamates
  • Cytochrome P-450 Enzyme Inhibitors
  • KCNQ2 Potassium Channel
  • Kcnq2 protein, rat
  • Morpholines
  • N-(1-(4-fluoro-3-morpholin-4-ylphenyl)ethyl)-3-(4-fluorophenyl)acrylamide
  • Potassium Channels
  • Potassium Channels, Voltage-Gated
  • Fluorine
  • CYP3A protein, human
  • Cytochrome P-450 CYP3A
  • CYP3A4 protein, human