X-ray crystal structure of the opioid ligand naltrexonazine

J Med Chem. 1987 Aug;30(8):1489-94. doi: 10.1021/jm00391a035.

Abstract

The anti-anti isomer of naltrexonazine (1) was synthesized, and its configuration was confirmed by X-ray crystallography. The syn-anti isomer is readily converted to 1 under acidic conditions. The apparent equal receptor binding of 1 and syn-anti isomer indicates that isomerization of the azine moiety may take place under the conditions of biological evaluation. Two possible explanations for wash-resistant binding of 1 to opioid receptors are presented. The first possibility involves a noncovalent interaction of the ligand with the opioid receptor, and the second considers covalent binding by a receptor-based sulfhydryl group.

Publication types

  • Comparative Study
  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Animals
  • Binding, Competitive
  • Brain / metabolism
  • Cell Membrane / metabolism
  • Chemical Phenomena
  • Chemistry
  • Crystallization
  • Naltrexone / analogs & derivatives*
  • Naltrexone / chemical synthesis
  • Naltrexone / metabolism
  • Rats
  • Receptors, Opioid / metabolism
  • Stereoisomerism
  • X-Ray Diffraction

Substances

  • Receptors, Opioid
  • Naltrexone
  • naltrexonazine