Structure-Activity Relationship Studies of Pyridine-Based Ligands and Identification of a Fluorinated Derivative for Positron Emission Tomography Imaging of Cannabinoid Type 2 Receptors

J Med Chem. 2019 Dec 26;62(24):11165-11181. doi: 10.1021/acs.jmedchem.9b01280. Epub 2019 Dec 5.

Abstract

The cannabinoid type 2 (CB2) receptor has emerged as a valuable target for therapy and imaging of immune-mediated pathologies. With the aim to find a suitable radiofluorinated analogue of the previously reported CB2 positron emission tomography (PET) radioligand [11C]RSR-056, 38 fluorinated derivatives were synthesized and tested by in vitro binding assays. With a Ki (hCB2) of 6 nM and a selectivity factor of nearly 700 over cannabinoid type 1 receptors, target compound 3 exhibited optimal in vitro properties and was selected for evaluation as a PET radioligand. [18F]3 was obtained in an average radiochemical yield of 11 ± 4% and molar activities between 33 and 114 GBq/μmol. Specific binding of [18F]3 to CB2 was demonstrated by in vitro autoradiography and in vivo PET experiments using the CB2 ligand GW-405 833. Metabolite analysis revealed only intact [18F]3 in the rat brain. [18F]3 detected CB2 upregulation in human amyotrophic lateral sclerosis spinal cord tissue and may thus become a candidate for diagnostic use in humans.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Animals
  • Brain / diagnostic imaging
  • Brain / metabolism*
  • Cyclic AMP / metabolism
  • Fluorine Radioisotopes / chemistry
  • Fluorine Radioisotopes / metabolism*
  • Hepatocytes / metabolism
  • Humans
  • Ligands
  • Male
  • Mice
  • Mice, Inbred C57BL
  • Molecular Structure
  • Neuroimaging / methods*
  • Positron-Emission Tomography / methods*
  • Protein Conformation
  • Pyridines / chemistry*
  • Radiochemistry
  • Radiopharmaceuticals / chemistry
  • Radiopharmaceuticals / metabolism*
  • Rats
  • Rats, Wistar
  • Receptor, Cannabinoid, CB2 / chemistry
  • Receptor, Cannabinoid, CB2 / metabolism*
  • Structure-Activity Relationship

Substances

  • Fluorine Radioisotopes
  • Ligands
  • Pyridines
  • Radiopharmaceuticals
  • Receptor, Cannabinoid, CB2
  • Cyclic AMP