Synthesis of isothiazol-3-one derivatives as inhibitors of histone acetyltransferases (HATs)

Bioorg Med Chem. 2009 Jan 15;17(2):467-74. doi: 10.1016/j.bmc.2008.11.079. Epub 2008 Dec 7.

Abstract

High-throughput screening led to the identification of isothiazolones 1 and 2 as inhibitors of histone acetyltransferase (HAT) with IC50s of 3 microM and 5 microM, respectively. Analogues of these hit compounds with variations of the N-phenyl group, and with variety of substituents at C-4, C-5 of the thiazolone ring, were prepared and assayed for inhibition of the HAT enzyme PCAF. Potency is modestly favoured when the N-aryl group is electron deficient (4-pyridyl derivative 10 has IC(50)=1.5 microM); alkyl substitution at C-4 has little effect, whilst similar substitution at C-5 causes a significant drop in potency. The ring-fused compound 38 has activity (IC(50)=6.1 microM) to encourage further exploration of this bicyclic structure. The foregoing SAR is consistent with an inhibitory mechanism involving cleavage of the S-N bond of the isothiazolone ring by a catalytically important thiol residue.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Animals
  • Enzyme Inhibitors / chemical synthesis*
  • Enzyme Inhibitors / pharmacology
  • Histone Acetyltransferases / antagonists & inhibitors*
  • Humans
  • Inhibitory Concentration 50
  • Structure-Activity Relationship
  • Thiazoles / chemical synthesis*
  • Thiazoles / pharmacology
  • p300-CBP Transcription Factors / antagonists & inhibitors

Substances

  • Enzyme Inhibitors
  • Thiazoles
  • Histone Acetyltransferases
  • p300-CBP Transcription Factors
  • p300-CBP-associated factor