Identification and optimization of N3,N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamines as a novel class of ACK1 inhibitors

Bioorg Med Chem Lett. 2008 Dec 15;18(24):6352-6. doi: 10.1016/j.bmcl.2008.10.092. Epub 2008 Nov 1.

Abstract

A new series of pyrazolo[3,4-d]pyrimidine-3,6-diamines was designed and synthesized as potent and selective inhibitors of the nonreceptor tyrosine kinase, ACK1. These compounds arose from efforts to rigidify an earlier series of N-aryl pyrimidine-5-carboxamides. The synthesis and structure-activity relationships of this new series of inhibitors are reported. The most promising compounds were also profiled for their pharmacokinetic properties.

MeSH terms

  • Animals
  • Chemistry, Pharmaceutical / methods
  • Crystallography, X-Ray / methods
  • Diamines / antagonists & inhibitors*
  • Drug Design
  • Enzyme Inhibitors / chemical synthesis*
  • Enzyme Inhibitors / pharmacology
  • Inhibitory Concentration 50
  • Male
  • Models, Chemical
  • Molecular Conformation
  • Protein-Tyrosine Kinases / antagonists & inhibitors*
  • Protein-Tyrosine Kinases / chemistry
  • Pyrazoles / chemistry*
  • Pyrimidines / chemistry*
  • Rats
  • Rats, Sprague-Dawley
  • Structure-Activity Relationship

Substances

  • Diamines
  • Enzyme Inhibitors
  • Pyrazoles
  • Pyrimidines
  • Protein-Tyrosine Kinases
  • TNK2 protein, human