1,4-Benzoxazine-3(4H)-ones as potent inhibitors of platelet aggregation: design, synthesis and structure-activity relations

Chem Pharm Bull (Tokyo). 2014;62(9):915-20. doi: 10.1248/cpb.c14-00330. Epub 2014 Jul 9.

Abstract

A series of novel potentially platelet aggregation-inhibiting 1,4-benzoxazine-3(4H)-one derivatives was designed and synthesized through Smiles rearrangement, reduction and acetylation reactions. The antiaggregatory activities of the target molecules on arterial blood samples from rabbits, expressed by IC₅₀ values (μM), were then evaluated in vitro against ADP induced platelet aggregation. The favorable IC₅₀ values of compound 8c (IC₅₀=8.99 µM) and 8d (IC₅₀=8.94 µM) indicated that these two compounds were the most potent molecules among all the synthesized compounds. A detailed molecular docking study to explore the interaction of compounds 8c and 8d with GP IIb/IIIa receptor showed that they these two compounds were docked into the active site of GPIIb/IIIa receptor. These results suggest that the 1,4-benzoxazine-3(4H)-one derivatives are promising lead compounds to develop new platelet aggregation inhibitors.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Animals
  • Benzoxazines / chemical synthesis
  • Benzoxazines / chemistry*
  • Benzoxazines / pharmacology*
  • Molecular Structure
  • Platelet Aggregation Inhibitors / pharmacology*
  • Proton Magnetic Resonance Spectroscopy
  • Rabbits
  • Spectrometry, Mass, Electrospray Ionization
  • Structure-Activity Relationship

Substances

  • Benzoxazines
  • Platelet Aggregation Inhibitors