Structure-Activity Relationships, Deuteration, and Fluorination of Synthetic Cannabinoid Receptor Agonists Related to AKB48, 5F-AKB-48, and AFUBIATA

ACS Chem Neurosci. 2024 Jun 5;15(11):2160-2181. doi: 10.1021/acschemneuro.3c00850. Epub 2024 May 20.

Abstract

Synthetic cannabinoid receptor agonists (SCRAs) are a growing class of new psychoactive substances (NPS) commonly derived from an N-alkylated indole, indazole, or 7-azaindole scaffold. Diversification of this core (at the 3-position) with amide-linked pendant amino acid groups and modular N-alkylation (of the indole/indazole/7-azaindole core) ensures that novel SCRAs continue to enter the illicit drug market rapidly. In response to the large number of SCRAs that have been detected, pharmacological evaluation of this NPS class has become increasingly common. Adamantane-derived SCRAs have consistently appeared throughout the market since 2011, and as such, a systematic set of these derivatives was synthesized and pharmacologically evaluated. Deuterated and fluorinated adamantane derivatives were prepared to evaluate typical hydrogen bioisosteres, as well as evaluation of the newly detected AFUBIATA.

Keywords: SAR; SCRA; adamantane; cannabinoid; deuteration; pharmacology.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Adamantane / analogs & derivatives
  • Adamantane / chemistry
  • Adamantane / pharmacology
  • Animals
  • Cannabinoid Receptor Agonists* / chemical synthesis
  • Cannabinoid Receptor Agonists* / chemistry
  • Cannabinoid Receptor Agonists* / pharmacology
  • Deuterium
  • Halogenation*
  • Humans
  • Indazoles* / chemical synthesis
  • Indazoles* / chemistry
  • Indazoles* / pharmacology
  • Indoles* / chemistry
  • Indoles* / pharmacology
  • Mice
  • Structure-Activity Relationship
  • Valine / analogs & derivatives

Substances

  • Cannabinoid Receptor Agonists
  • Indazoles
  • Indoles
  • methyl 2-(1-(4-fluorobenzyl)-1H-indazole-3-carboxamido)-3-methylbutanoate
  • methyl 2-(1-(cyclohexylmethyl)-1H-indole-3-carboxamido)-3,3-dimethylbutanoate
  • Adamantane
  • Deuterium
  • Valine