Design and synthesis of substituted 4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamides, novel HIV-1 integrase inhibitors

Bioorg Med Chem Lett. 2008 Jan 15;18(2):721-5. doi: 10.1016/j.bmcl.2007.11.049. Epub 2007 Nov 19.

Abstract

A series of 4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamides was synthesized and tested for their inhibition of HIV-1 integrase catalytic activity and HIV-1 replication in cells. Structure-activity studies around lead compound 5 indicated that a coplanar relationship of metal-binding heteroatoms provides optimal binding to the integrase active site. Identification of potency-enhancing substituents and adjustments in lipophilicity provided 17b which inhibits integrase-catalyzed strand transfer with an IC(50) value of 74 nM and inhibits HIV-1 replication in cell culture in the presence of 50% normal human serum with an IC(95) value of 63 nM.

MeSH terms

  • Catalysis
  • Cell Line
  • HIV Integrase / drug effects*
  • HIV Integrase / metabolism
  • HIV Integrase Inhibitors / chemical synthesis
  • HIV Integrase Inhibitors / chemistry*
  • HIV Integrase Inhibitors / pharmacology*
  • HIV-1 / enzymology
  • HIV-1 / physiology
  • Pyrazines / chemical synthesis
  • Pyrazines / chemistry*
  • Pyrazines / pharmacology*
  • Structure-Activity Relationship
  • Virus Replication / drug effects

Substances

  • HIV Integrase Inhibitors
  • Pyrazines
  • HIV Integrase
  • p31 integrase protein, Human immunodeficiency virus 1