Structure-activity relationships of novel, highly potent, selective, and orally active CCR1 antagonists

Bioorg Med Chem Lett. 2007 Jun 15;17(12):3367-72. doi: 10.1016/j.bmcl.2007.03.104. Epub 2007 Apr 5.

Abstract

Design and synthesis of a series of 3-amino-4-(2-(2-(4-benzylpiperazin-1-yl)-2-oxoethoxy)phenylamino)cyclobutenedione derivatives as novel CCR1 antagonists are described. Structure-activity relationship studies led to the identification of compound 22, which demonstrated potent binding activity, functional antagonism of CCR1 as well as good species cross-reactivity. In addition, compound 22 also showed desirable pharmacokinetic profiles and was selected for in vivo studies in the mouse collagen-induced arthritis model.

MeSH terms

  • Administration, Oral
  • Animals
  • Arthritis, Experimental / chemically induced
  • Arthritis, Experimental / drug therapy*
  • Benzyl Compounds / chemistry
  • Benzyl Compounds / pharmacology*
  • Binding Sites
  • Collagen
  • Cyclobutanes / chemistry
  • Cyclobutanes / pharmacology*
  • Disease Models, Animal
  • Drug Design
  • Male
  • Mice
  • Mice, Inbred BALB C
  • Receptors, CCR1
  • Receptors, Chemokine / antagonists & inhibitors*
  • Structure-Activity Relationship

Substances

  • 3-amino-4-(2-(2-(4-benzylpiperazin-1-yl)-2-oxoethoxy)phenylamino)cyclobutenedione
  • Benzyl Compounds
  • Ccr1 protein, mouse
  • Cyclobutanes
  • Receptors, CCR1
  • Receptors, Chemokine
  • Collagen