The design and preliminary structure-activity relationship studies of benzotriazines as potent inhibitors of Abl and Abl-T315I enzymes

Bioorg Med Chem Lett. 2007 Nov 1;17(21):5812-8. doi: 10.1016/j.bmcl.2007.08.043. Epub 2007 Aug 25.

Abstract

We describe the design, synthesis and structure-activity relationship studies in optimizing a series of benzotriazine compounds as potent inhibitors of both Abl and Abl-T315I enzymes. The design includes targeting of an acid functional residue on the alphaC-helix that is available only upon kinase activation. This designed interaction provides an advantage in overcoming the challenges arising from the T315I mutation of Abl and transforms poor (ca. 10 microM) inhibitors into those with low nM potency.

MeSH terms

  • Drug Design
  • Electrophoresis, Polyacrylamide Gel
  • Enzyme Inhibitors / chemistry*
  • Enzyme Inhibitors / pharmacology*
  • Models, Molecular
  • Protein-Tyrosine Kinases / antagonists & inhibitors*
  • Structure-Activity Relationship
  • Triazines / chemistry*
  • Triazines / pharmacology*

Substances

  • Enzyme Inhibitors
  • Triazines
  • Protein-Tyrosine Kinases