A novel strategy to assemble the beta-diketo acid pharmacophore of HIV integrase inhibitors on purine nucleobase scaffolds

J Org Chem. 2007 Oct 26;72(22):8577-9. doi: 10.1021/jo701336r. Epub 2007 Oct 5.

Abstract

Claisen condensation, the key step in constructing the pharmacophore of aryl beta-diketo acids (DKA) as integrase inhibitors, fails in certain cases of highly electron-deficient heterocycles such as purines. A general synthetic strategy to assemble the DKA motif on the purine scaffold has been accomplished. The synthetic sequence entails a palladium-catalyzed cross-coupling, a C-acylation involving a tandem addition/elimination reaction, and a novel ferric ion-catalyzed selective hydrolysis of an enolic ether in the presence of a carboxylic acid ester.

Publication types

  • Research Support, N.I.H., Extramural

MeSH terms

  • HIV Integrase / drug effects*
  • HIV Integrase Inhibitors / chemical synthesis*
  • HIV Integrase Inhibitors / chemistry
  • HIV Integrase Inhibitors / pharmacology*
  • Hydrolysis
  • Keto Acids / chemical synthesis*
  • Keto Acids / chemistry
  • Keto Acids / pharmacology*
  • Molecular Structure
  • Purines / chemistry*
  • Stereoisomerism
  • Structure-Activity Relationship

Substances

  • HIV Integrase Inhibitors
  • Keto Acids
  • Purines
  • HIV Integrase