2-[3-(N'-hydroxycarbamimidoyl)phenyl]-1-[4-(2-methylsulfonylphenyl)phenyl]cyclopropane-1-carboxamide

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 2-[3-(N'-hydroxycarbamimidoyl)phenyl]-1-[4-(2-methylsulfonylphenyl)phenyl]cyclopropane-1-carboxamide
• 化学式: C₂₄H₂₃N₃O₄S
• 分子量: 449.5
• InChiKey: MKBWIEAYZCHTDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  144
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof
  申请人：——

  公开号：US20030065176A1

  公开（公告）日：2003-04-03

  The present invention relates to a compound with aryl-amidines, particularly amidinoaryl-cyclopropanes, amidinoarylmethyl-pyrroles, amidinoaryl-benzenes, amidinoaryl-pyridines, or amindonoaryl-alanines, represented by formula (1), a pharmaceutically acceptable salt, a prodrug, a hydrate, a solvate or an isomer thereof, which are inhibitors of coagulation enzyme, factor Xa (FXa). The present invention also relates to a pharmaceutical composition containing the compound, and a method of using the same as an anticoagulant agent for treatment and prevention of thrombosis disorders.

  本发明涉及一种具有芳基胺基的化合物，特别是表示为式（1）的芳基胺基环丙烷，芳基胺基甲基吡咯烷，芳基胺基苯，芳基胺基吡啶或芳基胺基丙氨酸的化合物，其为凝血酶Xa（FXa）的抑制剂，包括药用盐、前药、水合物、溶剂合物或其异构体。本发明还涉及含有该化合物的药物组合物，以及将其用作抗凝血剂治疗和预防血栓症障碍的方法。
• FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF
  申请人：LG Chem Investment, Ltd.

  公开号：EP1254136A1

  公开（公告）日：2002-11-06
• EP1254136A4
  申请人：——

  公开号：EP1254136A4

  公开（公告）日：2005-06-01
• [EN] FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF<br/>[FR] INHIBITEURS DU FACTEUR Xa CONTENANT DES ARYLAMIDINES ET DES DERIVES, ET PROMEDICAMENTS OBTENUS A PARTIR DESDITS INHIBITEURS
  申请人：LG CHEM INVESTMENT LTD

  公开号：WO2001055146A1

  公开（公告）日：2001-08-02

  The present invention relates to a compound with aryl-amidines, particularly amidinoaryl-cyclopropanes, amidinoarylmethyl-pyrroles, amidinoaryl-benzenes, amidinoaryl-pyridines, or amindonoaryl-alanines, represented by formula (1), a pharmaceutically acceptable salt, a prodrug, a hydrate, a solvate or an isomer thereof, which are inhibitors of coagulation enzyme, factor Xa (FXa). The present invention also relates to a pharmaceutical composition containing the compound, and a method of using the same as an anticoagulant agent for treatment and prevention of thrombosis disorders.