Novel 2,7-dialkyl-substituted 5(S)-amino-4(S)-hydroxy-8-phenyl-octanecarboxamide transition state peptidomimetics are potent and orally active inhibitors of human renin

J Med Chem. 2007 Oct 4;50(20):4818-31. doi: 10.1021/jm070314y. Epub 2007 Sep 8.

Abstract

The action of renin is the rate-limiting step of the renin-angiotensin system (RAS), a key regulator of blood pressure. Effective renin inhibitors directly block the RAS entirely at source and, thus, may provide a vital weapon for hypertension therapy. Our efforts toward identifying novel small-molecule peptidomimetic renin inhibitors have resulted in the design of transition-state isosteres such as 1 bearing an all-carbon 8-phenyl-octanecarboxamide framework. Optimization of the extended P3 portion of 1 and extensive P2' modifications provided analogues with improved in vitro potencies in the presence of plasma. X-ray resolution of rh-renin/38a in the course of SAR work surprisingly unveiled the exploitation of a previously unexplored pocket (S3sp) important for strong binding affinities. Several inhibitors demonstrated oral efficacy in sodium-depleted marmosets. The most potent, 38a, induced dose-dependently a pronounced reduction in mean arterial blood pressure, paralleled by complete blockade of active plasma renin, up to 8 h post-dose. Oral bioavailability of 38a was 16% in marmosets.

MeSH terms

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

Substances

  • 5-amino-4-hydroxy-7-(4-methoxy-3-(3-methoxypropyl)benzyl)-2,8-dimethylnonanoic acid butylamide
  • Amides
  • Anisoles
  • Antihypertensive Agents
  • Caprylates
  • Peptides
  • Renin