Inhibitors of HIV-1 attachment. Part 11: the discovery and structure-activity relationships associated with 4,6-diazaindole cores

Bioorg Med Chem Lett. 2013 Jan 1;23(1):218-22. doi: 10.1016/j.bmcl.2012.10.118. Epub 2012 Nov 5.

Abstract

A series of HIV-1 attachment inhibitors containing a 4,6-diazaindole core were examined in an effort to identify a compound which improved upon the potency and oral exposure of BMS-488043 (2). BMS-488043 (2) is a 6-azaindole-based HIV-1 attachment inhibitor which established proof-of-concept for this mechanism in human clinical studies but required high doses and concomitant administration of a high fat meal to achieve efficacious exposures. Based on previous studies in indole and azaindole scaffolds, SAR investigation was concentrated around the key 7-position in the 4,6-diazaindole series and led to the discovery of molecules with 5- to 20-fold increases in potency and three- to seven-fold increases in exposure over 2 in a rat PK studies.

MeSH terms

  • Administration, Oral
  • Animals
  • Anti-HIV Agents / chemical synthesis
  • Anti-HIV Agents / chemistry*
  • Anti-HIV Agents / pharmacokinetics
  • Aza Compounds / chemistry*
  • Drug Evaluation, Preclinical
  • HIV-1 / drug effects
  • HIV-1 / metabolism*
  • Half-Life
  • Humans
  • Indoles / chemistry*
  • Piperazines / chemistry
  • Piperazines / pharmacokinetics
  • Pyruvic Acid
  • Rats
  • Structure-Activity Relationship
  • Virus Attachment / drug effects

Substances

  • Anti-HIV Agents
  • Aza Compounds
  • Indoles
  • Piperazines
  • Pyruvic Acid
  • BMS-488043