Etodolac (1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-acetic acid): a potent antiinflammatory drug. Conformation and absolute configuration of its active enantiomer

J Med Chem. 1986 May;29(5):871-4. doi: 10.1021/jm00155a047.

Abstract

The active (+) enantiomer of the antiinflammatory agent etodolac (1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]-indole-1-acetic acid) has been assigned an S absolute configuration on the basis of a crystallographic analysis of the (S)-(-)-borneol ester of (-)-etodolac, and the conformation of etodolac has been determined by a crystallographic analysis of (+/-)-etodolac. Analyses of the solid-state conformation, as well as energy-minimized conformations obtained by molecular mechanics calculations, have failed to provide a basis for identifying a probable receptor-site conformation.

MeSH terms

  • Acetates*
  • Anti-Inflammatory Agents*
  • Crystallography
  • Etodolac
  • Models, Molecular
  • Molecular Conformation
  • Stereoisomerism
  • Structure-Activity Relationship
  • X-Ray Diffraction

Substances

  • Acetates
  • Anti-Inflammatory Agents
  • Etodolac