Property-based optimization of hydroxamate-based γ-lactam HDAC inhibitors to improve their metabolic stability and pharmacokinetic profiles

J Med Chem. 2012 Dec 13;55(23):10766-70. doi: 10.1021/jm3009376. Epub 2012 Dec 4.

Abstract

Hydroxamate-based HDAC inhibitors have promising anticancer activities but metabolic instability and poor pharmacokinetics leading to poor in vivo results. QSAR and PK studies of HDAC inhibitors showed that a γ-lactam core and a modified cap group, including halo, alkyl, and alkoxy groups with various carbon chain linkers, improved HDAC inhibition and metabolic stability. The biological properties of the γ-lactam HDAC inhibitors were evaluated; the compound designated 8f had potent anticancer activity and high oral bioavailability.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Histone Deacetylase Inhibitors / chemistry
  • Histone Deacetylase Inhibitors / pharmacokinetics
  • Histone Deacetylase Inhibitors / pharmacology*
  • Hydroxamic Acids / chemistry*
  • Lactams / chemistry
  • Lactams / pharmacokinetics
  • Lactams / pharmacology*
  • Magnetic Resonance Spectroscopy

Substances

  • Histone Deacetylase Inhibitors
  • Hydroxamic Acids
  • Lactams