5-(3-Bromophenyl)-7-(6-morpholin-4-ylpyridin-3-yl)pyrido[2,3-d]pyrimidin-4-ylamine: structure-activity relationships of 7-substituted heteroaryl analogs as non-nucleoside adenosine kinase inhibitors

Bioorg Med Chem. 2005 Jun 1;13(11):3705-20. doi: 10.1016/j.bmc.2005.03.023.

Abstract

4-Amino-5,7-disubstituted pyridopyrimidines are potent, non-nucleoside inhibitors of adenosine kinase (AK). We recently identified a potent, orally efficacious analog, 4 containing a 7-pyridylmorpholine substituted ring system as the key structural element of this template. In this report, we disclose the pharmacologic effects of five- and six-membered heterocyclic ring replacements for the pyridine ring in 4. These replacements were found to have interesting effects on in vivo efficacy and genotoxicity as well as in vitro potency. We discovered that the nitrogen in the heterocyclic ring at C(7) is important for the modulation of mutagenic side effects (Ames assay).

MeSH terms

  • Adenosine Kinase / antagonists & inhibitors*
  • Animals
  • Cell Line
  • Enzyme Inhibitors / chemistry*
  • Enzyme Inhibitors / pharmacology*
  • Magnetic Resonance Spectroscopy
  • Male
  • Mass Spectrometry
  • Morpholines / chemistry
  • Morpholines / pharmacology*
  • Pyrimidines / chemistry
  • Pyrimidines / pharmacology*
  • Rats
  • Rats, Sprague-Dawley
  • Structure-Activity Relationship

Substances

  • 5-(3-Bromophenyl)-7-(6-morpholin-4-ylpyridin-3-yl)pyrido(2,3-d)pyrimidin-4-ylamine
  • Enzyme Inhibitors
  • Morpholines
  • Pyrimidines
  • Adenosine Kinase