Discovery of trifluoromethyl(pyrimidin-2-yl)azetidine-2-carboxamides as potent, orally bioavailable TGR5 (GPBAR1) agonists: structure-activity relationships, lead optimization, and chronic in vivo efficacy

J Med Chem. 2014 Apr 24;57(8):3263-82. doi: 10.1021/jm401731q. Epub 2014 Apr 4.

Abstract

Activation of the G-protein coupled receptor (GPCR) Takeda G-protein receptor 5 (TGR5), also known as G-protein bile acid receptor 1 (GPBAR1), has been shown to play a key role in pathways associated with diabetes, metabolic syndrome, and autoimmune disease. Nipecotamide 5 was identified as an attractive starting point after a high-throughput screen (HTS) for receptor agonists. A comprehensive hit-to-lead effort culminated in the discovery of 45h as a potent, selective, and bioavailable TGR5 agonist to test in preclinical metabolic disease models. In genetically obese mice (ob/ob), 45h was as effective as a dipeptidyl peptidase-4 (DPP-4) inhibitor at reducing peak glucose levels in an acute oral glucose tolerance test (OGTT), but this effect was lost upon chronic dosing.

MeSH terms

  • Administration, Oral
  • Animals
  • Biological Availability
  • Drug Discovery
  • Glucagon-Like Peptide 1 / analysis
  • Humans
  • Hypoglycemic Agents / chemical synthesis*
  • Hypoglycemic Agents / pharmacokinetics
  • Hypoglycemic Agents / pharmacology
  • Male
  • Mice
  • Mice, Inbred C57BL
  • Mice, Obese
  • Piperazines / chemical synthesis*
  • Piperazines / pharmacology
  • Receptors, G-Protein-Coupled / agonists*
  • Structure-Activity Relationship

Substances

  • GPBAR1 protein, human
  • Hypoglycemic Agents
  • Piperazines
  • Receptors, G-Protein-Coupled
  • Glucagon-Like Peptide 1