Discovery of potent antagonists of leukocyte function-associated antigen-1/intercellular adhesion molecule-1 interaction. 3. Amide (C-ring) structure-activity relationship and improvement of overall properties of arylthio cinnamides

J Med Chem. 2001 Aug 30;44(18):2913-20. doi: 10.1021/jm010059w.

Abstract

The interaction of LFA-1 and ICAM-1 plays an important role in the cell adhesion process. On the basis of previously reported SAR and structural information on the binding of our p-arylthiocinnamide series to LFA-1, we have identified the cyclic amide (C-ring) as a site for modification. Improvement in potency and, more importantly, in the physical properties and pharmacokinetic profiles of the leading compounds resulted from this modification. One of the best compounds (11f) is also shown to reduce myocardial infarct size in rat.

MeSH terms

  • Amides / chemical synthesis
  • Amides / chemistry
  • Amides / pharmacokinetics
  • Amides / pharmacology
  • Animals
  • Cardiovascular Agents / chemical synthesis
  • Cardiovascular Agents / chemistry
  • Cardiovascular Agents / pharmacokinetics
  • Cardiovascular Agents / pharmacology
  • Cell Adhesion / drug effects
  • Cell Line
  • Cinnamates / chemical synthesis*
  • Cinnamates / chemistry
  • Cinnamates / pharmacokinetics
  • Cinnamates / pharmacology
  • Intercellular Adhesion Molecule-1 / metabolism*
  • Lymphocyte Function-Associated Antigen-1 / metabolism*
  • Magnetic Resonance Spectroscopy
  • Male
  • Models, Molecular
  • Myocardial Infarction / pathology
  • Myocardium / pathology
  • Nipecotic Acids / chemical synthesis*
  • Nipecotic Acids / chemistry
  • Nipecotic Acids / pharmacokinetics
  • Nipecotic Acids / pharmacology
  • Rats
  • Rats, Sprague-Dawley
  • Solubility
  • Structure-Activity Relationship
  • Sulfides / chemical synthesis*
  • Sulfides / chemistry
  • Sulfides / pharmacokinetics
  • Sulfides / pharmacology

Substances

  • (benzodioxan-6-yl)(2-trifluoromethyl-4-((3-carboxypyrrolidin-1-yl)carbonyl)ethenyl)phenyl sulfide
  • Amides
  • Cardiovascular Agents
  • Cinnamates
  • Lymphocyte Function-Associated Antigen-1
  • Nipecotic Acids
  • Sulfides
  • Intercellular Adhesion Molecule-1