Discovery of orally available spirodiketopiperazine-based CCR5 antagonists

Bioorg Med Chem. 2010 Jul 15;18(14):5208-23. doi: 10.1016/j.bmc.2010.05.057. Epub 2010 May 25.

Abstract

Using the previously reported novel spirodiketopiperazine scaffold, the design and synthesis of orally available CCR5 antagonists was undertaken. Compounds possessing a carboxylic acid function in the appropriate position showed improved oral exposure (AUC) relative to the initial chemical leads without reduction in the antagonist activity. The optimized compound 40 was found to show potent anti-HIV activity. Full details of structure-activity relationship (SAR) study are presented.

MeSH terms

  • Administration, Oral
  • Animals
  • Anti-HIV Agents / chemistry
  • Anti-HIV Agents / pharmacokinetics*
  • Anti-HIV Agents / pharmacology*
  • Biological Availability
  • CCR5 Receptor Antagonists*
  • Caco-2 Cells
  • HIV Infections / drug therapy*
  • HIV-1 / drug effects*
  • Humans
  • Piperazines / chemistry
  • Piperazines / pharmacokinetics*
  • Piperazines / pharmacology*
  • Rats
  • Receptors, CCR5 / metabolism

Substances

  • Anti-HIV Agents
  • CCR5 Receptor Antagonists
  • Piperazines
  • Receptors, CCR5