Structural modification of the P2' position of 2,7-dialkyl-substituted 5(S)-amino-4(S)-hydroxy-8-phenyl-octanecarboxamides: the discovery of aliskiren, a potent nonpeptide human renin inhibitor active after once daily dosing in marmosets

J Med Chem. 2007 Oct 4;50(20):4832-44. doi: 10.1021/jm070316i. Epub 2007 Sep 8.

Abstract

Due to its function in the rate limiting initial step of the renin-angiotensin system, renin is a particularly promising target for drugs designed to control hypertension, a growing risk to health worldwide. Despite vast efforts over more than two decades, no orally efficacious renin inhibitor had reached the market. As a result of a structure-based topological design approach, we have identified a novel class of small-molecule inhibitors with good oral blood-pressure lowering effects in primates. Further lead optimization aimed for improvement of in vivo potency and duration of action, mainly by P2' modifications at the hydroxyethylene transition-state isostere. These efforts resulted in the discovery of aliskiren (46, CGP060536B, SPP100), a highly potent, selective inhibitor of renin, demonstrating excellent efficacy in sodium-depleted marmosets after oral administration, with sustained duration of action in reducing dose-dependently mean arterial blood pressure. Aliskiren has recently received regulatory approval by the U.S. Food and Drug Administration for the treatment of hypertension.

MeSH terms

  • Administration, Oral
  • Amides / chemical synthesis*
  • Amides / chemistry
  • Amides / pharmacology
  • Animals
  • Antihypertensive Agents / chemical synthesis*
  • Antihypertensive Agents / chemistry
  • Antihypertensive Agents / pharmacology
  • Blood Pressure / drug effects
  • Callithrix
  • Caprylates / chemical synthesis*
  • Caprylates / chemistry
  • Caprylates / pharmacology
  • Crystallography, X-Ray
  • Fumarates / chemical synthesis*
  • Fumarates / chemistry
  • Fumarates / pharmacology
  • Heart Rate / drug effects
  • Humans
  • Kinetics
  • Models, Molecular
  • Molecular Structure
  • Protein Binding
  • Renin / antagonists & inhibitors*
  • Renin / blood
  • Stereoisomerism
  • Structure-Activity Relationship

Substances

  • Amides
  • Antihypertensive Agents
  • Caprylates
  • Fumarates
  • aliskiren
  • Renin