Parallel medicinal chemistry approaches to selective HDAC1/HDAC2 inhibitor (SHI-1:2) optimization

Bioorg Med Chem Lett. 2009 Feb 15;19(4):1168-72. doi: 10.1016/j.bmcl.2008.12.083. Epub 2008 Dec 25.

Abstract

The successful application of both solid and solution phase library synthesis, combined with tight integration into the medicinal chemistry effort, resulted in the efficient optimization of a novel structural series of selective HDAC1/HDAC2 inhibitors by the MRL-Boston Parallel Medicinal Chemistry group. An initial lead from a small parallel library was found to be potent and selective in biochemical assays. Advanced compounds were the culmination of iterative library design and possess excellent biochemical and cellular potency, as well as acceptable PK and efficacy in animal models.

MeSH terms

  • Animals
  • Combinatorial Chemistry Techniques
  • Dogs
  • Drug Design
  • Histone Deacetylase 1
  • Histone Deacetylase 2
  • Histone Deacetylase Inhibitors*
  • Humans
  • Molecular Structure
  • Rats
  • Repressor Proteins / antagonists & inhibitors
  • Structure-Activity Relationship
  • Xenograft Model Antitumor Assays

Substances

  • Histone Deacetylase Inhibitors
  • Repressor Proteins
  • HDAC1 protein, human
  • Hdac2 protein, rat
  • Histone Deacetylase 1
  • Histone Deacetylase 2