Synthesis and Pharmacological Evaluation of Triazolopyrimidinone Derivatives as Noncompetitive, Intracellular Antagonists for CC Chemokine Receptors 2 and 5

J Med Chem. 2019 Dec 26;62(24):11035-11053. doi: 10.1021/acs.jmedchem.9b00742. Epub 2019 Dec 13.

Abstract

CC chemokine receptors 2 (CCR2) and 5 (CCR5) are involved in many inflammatory diseases; however, most CCR2 and CCR5 clinical candidates have been unsuccessful. (Pre)clinical evidence suggests that dual CCR2/CCR5 inhibition might be more effective in the treatment of such multifactorial diseases. In this regard, the highly conserved intracellular binding site in chemokine receptors provides a new avenue for the design of multitarget ligands. In this study, we synthesized and evaluated the biological activity of a series of triazolopyrimidinone derivatives in CCR2 and CCR5. Radioligand binding assays first showed that they bind to the intracellular site of CCR2, and in combination with functional assays on CCR5, we explored structure-affinity/activity relationships in both receptors. Although most compounds were CCR2-selective, 39 and 43 inhibited β-arrestin recruitment in CCR5 with high potency. Moreover, these compounds displayed an insurmountable mechanism of inhibition in both receptors, which holds promise for improved efficacy in inflammatory diseases.

Publication types

  • Evaluation Study

MeSH terms

  • Antineoplastic Agents / chemical synthesis*
  • Antineoplastic Agents / pharmacology*
  • Binding Sites
  • Bone Neoplasms / drug therapy
  • Bone Neoplasms / pathology
  • Cell Proliferation / drug effects*
  • Humans
  • Ligands
  • Molecular Structure
  • Osteosarcoma / drug therapy
  • Osteosarcoma / pathology
  • Protein Binding
  • Purines / chemistry*
  • Radioligand Assay
  • Receptors, CCR2 / antagonists & inhibitors*
  • Receptors, CCR5 / chemistry*
  • Structure-Activity Relationship
  • Tumor Cells, Cultured

Substances

  • Antineoplastic Agents
  • CCR2 protein, human
  • CCR5 protein, human
  • Ligands
  • Purines
  • Receptors, CCR2
  • Receptors, CCR5
  • triazolopyrimidinone