Discovery, stereospecific characterization and peripheral modification of 1-(pyrrolidin-1-ylmethyl)-2-[(6-chloro-3-oxo-indan)-formyl]-1,2,3,4-tetrahydroisoquinolines as novel selective κ opioid receptor agonists

Org Biomol Chem. 2015 May 28;13(20):5656-73. doi: 10.1039/c5ob00350d. Epub 2015 Apr 21.

Abstract

A novel series of 1-(pyrrolidin-1-ylmethyl)-2-[(3-oxo-indan)-formyl]-1,2,3,4-tetrahydroisoquinoline derivatives maj-3a-maj-3u were synthesized and evaluated in vitro for their binding affinity at κ-opioid receptors. Maj-3c displayed the highest affinity for κ-opioid receptors (Ki = 0.033 nM) among all the compounds evaluated. Furthermore, all four stereoisomers of compound 3c were prepared, and (1S,18S)-3c was identified as the most potent (Ki = 0.0059 nM) κ-opioid receptor agonist among the four stereoisomers. Maj-3c produced significant antinociception (ED50 = 0.000406 mg kg(-1)) compared to U-50,488H and original BRL 52580 in the acetic acid writhing assay, but its strong sedative effect (ED50 = 0.000568 mg kg(-1)) observed in the mouse rotation test reduced its druggability. To minimize the central nervous system side effects, a series of hydroxyl-containing analogs of maj-3c were synthesized, and maj-11a was found to be a potent κ-opioid receptor agonist (Ki = 35.13 nM). More importantly, the dose for the sedative effect (ED50 = 9.29 mg kg(-1)) of maj-11a was significantly higher than its analgesic dose (ED50 = 0.392 mg kg(-1)), which made it a promising peripheral analgesic candidate compound with weak sedative side effects.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Acetic Acid / metabolism
  • Analgesics / chemistry*
  • Analgesics / pharmacokinetics
  • Analgesics / pharmacology*
  • Animals
  • Drug Discovery*
  • Indans / chemistry*
  • Indans / pharmacokinetics
  • Indans / pharmacology*
  • Male
  • Mice
  • Pain Measurement
  • Peripheral Nervous System / drug effects*
  • Rats
  • Rats, Sprague-Dawley
  • Receptors, Opioid, kappa / agonists*
  • Receptors, Opioid, mu / metabolism*
  • Stereoisomerism
  • Tetrahydroisoquinolines / chemistry*
  • Tetrahydroisoquinolines / pharmacokinetics
  • Tetrahydroisoquinolines / pharmacology
  • Tissue Distribution

Substances

  • 1-(pyrrolidin-1-ylmethyl)-2-((6-chloro-3-oxoindan)formyl)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline
  • Analgesics
  • Indans
  • Receptors, Opioid, kappa
  • Receptors, Opioid, mu
  • Tetrahydroisoquinolines
  • Acetic Acid