Structure-activity relationships for inhibition of inosine monophosphate dehydrogenase by nuclear variants of mycophenolic acid

J Med Chem. 1996 Oct 11;39(21):4181-96. doi: 10.1021/jm9603633.

Abstract

Structure-activity relationships in the region of the phthalide ring of the inosine monophosphate dehydrogenase inhibitor mycophenolic acid have been explored. Replacement of the lactone ring with other cyclic moieties resulted in loss of potency, especially for larger groups. Replacement of the ring by acyclic substituents also indicated a strong sensitivity to steric bulk. A phenolic hydroxyl group, with an adjacent hydrogen bond acceptor, was found to be essential for high potency. The aromatic methyl group was essential for activity; the methoxyl group could be replaced by ethyl to give a compound with 2-4 times the potency of mycophenolic acid in vitro and in vivo.

MeSH terms

  • Animals
  • Cell Division / drug effects
  • Female
  • Hemolytic Plaque Technique
  • Humans
  • IMP Dehydrogenase / antagonists & inhibitors*
  • Lymphocytes / cytology
  • Lymphocytes / drug effects
  • Mice
  • Mice, Inbred C3H
  • Mycophenolic Acid / analogs & derivatives*
  • Mycophenolic Acid / pharmacology
  • Recombinant Proteins / antagonists & inhibitors
  • Structure-Activity Relationship

Substances

  • Recombinant Proteins
  • IMP Dehydrogenase
  • Mycophenolic Acid