3-Hydroxy-3-methylglutaryl-coenzyme a reductase inhibitors. 7. Modification of the hexahydronaphthalene moiety of simvastatin: 5-oxygenated and 5-oxa derivatives

J Med Chem. 1991 Aug;34(8):2489-95. doi: 10.1021/jm00112a027.

Abstract

Modification of the hexahydronaphthalene ring 5-position in simvastatin 2a via oxygenation and oxa replacement afforded two series of derivatives which were evaluated in vitro for inhibition of 3-hydroxy-3-methylglutaryl-coenzyme A reductase and acutely in vivo for oral effectiveness as inhibitors of cholesterogenesis in the rat. Of the compounds selected for further biological evaluation, the 6 beta-methyl-5-oxa 10 and 5 alpha-hydroxy 16 derivatives of 3,4,4a,5-tetrahydro 2a, as well as, the 6 beta-epimer 14 of 16 proved orally active as hypocholesterolemic agents in cholestyramine-primed dogs. Subsequent acute oral metabolism studies in dogs demonstrated that compounds 14 and 16 evoke lower peak plasma drug activity and area-under-the-curve values than does compound 10 and led to the selection of 14 and 16 for toxicological evaluation.

MeSH terms

  • Acetates / metabolism
  • Animals
  • Anticholesteremic Agents / chemical synthesis*
  • Anticholesteremic Agents / pharmacokinetics
  • Anticholesteremic Agents / pharmacology
  • Chemical Phenomena
  • Chemistry
  • Cholesterol / biosynthesis
  • Dogs
  • Hydroxymethylglutaryl-CoA Reductase Inhibitors*
  • Kinetics
  • Lovastatin / analogs & derivatives*
  • Lovastatin / chemical synthesis
  • Lovastatin / chemistry
  • Lovastatin / pharmacokinetics
  • Lovastatin / pharmacology
  • Male
  • Molecular Conformation
  • Molecular Structure
  • Oxygen*
  • Rats
  • Simvastatin
  • Structure-Activity Relationship

Substances

  • 6-(2-(8-(2,2-dimethylbutyryl)oxy)-2,6-dimethyl-5-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthyl-1-ethyl)-4-hydroxy-3,4,5,6-tetrahydro-2H-pyran-2-one
  • Acetates
  • Anticholesteremic Agents
  • Hydroxymethylglutaryl-CoA Reductase Inhibitors
  • Cholesterol
  • Lovastatin
  • Simvastatin
  • Oxygen