The discovery of YM-60828: a potent, selective and orally-bioavailable factor Xa inhibitor

Bioorg Med Chem. 2002 May;10(5):1509-23. doi: 10.1016/s0968-0896(01)00418-7.

Abstract

Since Factor Xa (FXa) is well known to play a central role in thrombosis and hemostasis, inhibition of FXa is an attractive target for antithrombotic strategies. As a part of our investigation of a non-peptide, orally available FXa inhibitor, we found that a series of N-[(7-amidino-2-naphthyl)methyl]aniline derivatives possessed potent and selective inhibitory activities. Structure--activity relationship (SAR) of the substituent (R(1)) on the central aniline moiety suggested that increasing lipophilicity caused a detrimental effect on anticoagulant activity (prothrombin time assay) in plasma. Several compounds bearing a hydrophilic substituent in R(1) showed not only potent FXa inhibitory activities but also high anticoagulant activities. The best compound in this series was sulfamoylacetic acid derivative (YM-60828) which was a potent, selective and orally bioavailable FXa inhibitor and was chosen for clinical development.

MeSH terms

  • Administration, Oral
  • Animals
  • Anticoagulants / administration & dosage
  • Anticoagulants / chemistry
  • Anticoagulants / pharmacology
  • Antithrombin III / administration & dosage
  • Antithrombin III / chemistry
  • Antithrombin III / pharmacology*
  • Factor Xa Inhibitors*
  • Hydrophobic and Hydrophilic Interactions
  • Inhibitory Concentration 50
  • Male
  • Mice
  • Models, Molecular
  • Naphthalenes / administration & dosage
  • Naphthalenes / chemistry
  • Naphthalenes / pharmacology*
  • Piperidines / administration & dosage
  • Piperidines / chemistry
  • Piperidines / pharmacology*
  • Prothrombin Time
  • Structure-Activity Relationship

Substances

  • Anticoagulants
  • Factor Xa Inhibitors
  • Naphthalenes
  • Piperidines
  • YM 60828
  • Antithrombin III