Optimisation of imidazole compounds as selective TAAR1 agonists: discovery of RO5073012

Bioorg Med Chem Lett. 2012 Aug 15;22(16):5244-8. doi: 10.1016/j.bmcl.2012.06.060. Epub 2012 Jun 23.

Abstract

A series of imidazole compounds has been identified which affords potent and selective partial and full agonists of the TAAR1 receptor. Starting from 2-benzyl-imidazoline screening hits, a series of structurally related 2-benzyl- and 4-benzyl-imidazoles was investigated first, but it proved highly challenging to obtain compounds having sufficient selectivity against the adrenergic alpha 2 receptor. This issue could be successfully addressed by modification of the linker region and SAR exploration led to the discovery of highly selective isopropyl-substituted 4-aminomethyl-imidazole compounds. The work culminated in the identification of the selective TAAR1 partial agonist RO5073012 (4-chlorophenyl)-(1H-imidazol-4-ylmethyl)-isopropyl-amine, 24), which has a good pharmacokinetic profile after oral administration in rodents. RO5073012 has been found to be active in a behavioural rat model which is considered indicative for schizophrenia.

MeSH terms

  • Administration, Oral
  • Aniline Compounds / chemical synthesis
  • Aniline Compounds / chemistry*
  • Aniline Compounds / pharmacokinetics
  • Animals
  • Behavior, Animal / drug effects
  • Disease Models, Animal
  • Drug Evaluation, Preclinical
  • Half-Life
  • Imidazoles / chemical synthesis
  • Imidazoles / chemistry*
  • Imidazoles / pharmacokinetics
  • Microsomes / metabolism
  • Rats
  • Receptors, G-Protein-Coupled / agonists*
  • Receptors, G-Protein-Coupled / metabolism
  • Structure-Activity Relationship

Substances

  • (4-chlorophenyl)-(1H-imidazol-4-ylmethyl)-isopropyl-amine
  • Aniline Compounds
  • Imidazoles
  • Receptors, G-Protein-Coupled
  • imidazole
  • Trace amine-associated receptor 1