(E)- and (Z)-7-arylidenenaltrexones: synthesis and opioid receptor radioligand displacement assays

J Med Chem. 1997 Feb 28;40(5):749-53. doi: 10.1021/jm960573f.

Abstract

The E-isomer of 7-benzylidenenaltrexone (BNTX, la) was reported by Portoghese as a highly selective delta-opioid antagonist. The corresponding Z-isomer 1b was not readily available through direct aldol condensation of naltrexone (6) with benzaldehyde. Using the photochemical methods employed by Lewis to isomerize cinnamamides, we have obtained Z-isomer 1b in good yield from E-isomer 1a. A series of (E)- and (Z)-7-arylidenenaltrexone derivatives was prepared to study the effect of larger arylidene groups on opioid receptor affinity in this series. By aldol condensation of naltrexone (6) with benzaldehyde, 1-naphthaldehyde, 2-naphthaldehyde, 4-phenylbenzaldehyde, and 9-anthracaldehyde, the (E)-arylidenes were readily obtained. Photochemical isomerization afforded the corresponding Z-isomers. These compounds were evaluated via opioid receptor radioligand displacement assays. In these assays, the Z-isomers generally had higher affinity and were more delta-selective than the corresponding E-isomers. The (Z)-7-(1-naphthylidene)naltrexone (3b) showed the greatest selectivity (delta:mu ratio of 15) and highest affinity delta-binding (Ki = 0.7 nM). PM3 semiempirical geometry optimizations suggest a significant role for the orientation of the arylidene substituent in the binding affinity and delta-receptor selectivity. This work demonstrates that larger groups may be incorporated into the arylidene portion of the molecule with opioid receptor affinity being retained.

Publication types

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

MeSH terms

  • Animals
  • Benzeneacetamides*
  • Benzomorphans / metabolism
  • Benzylidene Compounds / chemical synthesis
  • Benzylidene Compounds / chemistry
  • Benzylidene Compounds / metabolism
  • Benzylidene Compounds / pharmacology
  • Binding, Competitive
  • Brain / metabolism
  • Enkephalin, Ala(2)-MePhe(4)-Gly(5)-
  • Enkephalin, D-Penicillamine (2,5)-
  • Enkephalins / metabolism
  • Guinea Pigs
  • Magnetic Resonance Spectroscopy
  • Mass Spectrometry
  • Models, Molecular
  • Molecular Conformation
  • Molecular Structure
  • Naltrexone / analogs & derivatives*
  • Naltrexone / chemical synthesis
  • Naltrexone / chemistry
  • Naltrexone / metabolism*
  • Naltrexone / pharmacology
  • Narcotic Antagonists / chemical synthesis*
  • Narcotic Antagonists / chemistry
  • Narcotic Antagonists / metabolism
  • Narcotic Antagonists / pharmacology
  • Pyrrolidines / metabolism
  • Receptors, Opioid, delta / metabolism*
  • Spectroscopy, Fourier Transform Infrared

Substances

  • Benzeneacetamides
  • Benzomorphans
  • Benzylidene Compounds
  • Enkephalins
  • Narcotic Antagonists
  • Pyrrolidines
  • Receptors, Opioid, delta
  • Enkephalin, Ala(2)-MePhe(4)-Gly(5)-
  • 7-benzylidenenaltrexone
  • Naltrexone
  • Enkephalin, D-Penicillamine (2,5)-
  • bremazocine
  • U 69593