N-{2-[N-(5-ethynyl(2-pyridyl))carbamoyl]-6-methoxyphenyl}[4-(iminopyrrolidinylmethyl)phenyl]carboxamide | 467431-99-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-{2-[N-(5-ethynyl(2-pyridyl))carbamoyl]-6-methoxyphenyl}[4-(iminopyrrolidinylmethyl)phenyl]carboxamide
• 英文别名: N-(5-ethynylpyridin-2-yl)-3-methoxy-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
• CAS: 467431-99-8
• 化学式: C₂₇H₂₅N₅O₃
• 分子量: 467.527
• InChiKey: DQJYEPUGZPGQBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  107
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• Benzamide inhibitors of factor Xa
  申请人：——

  公开号：US20030069250A1

  公开（公告）日：2003-04-10

  Novel benzamide compounds, their salts and compositions related thereto having activity against mammalian Factor Xa are disclosed. The compounds are useful in vitro or in vivo for preventing or treating coagulation disorders.

  本发明披露了一种新型苯甲酰胺化合物、其盐及相关组合物，具有对哺乳动物因子Xa的活性。该化合物在体内或体外用于预防或治疗凝血障碍。
• BENZAMIDE INHIBITORS OF FACTOR Xa
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：EP1373194A1

  公开（公告）日：2004-01-02
• US7312235B2
  申请人：——

  公开号：US7312235B2

  公开（公告）日：2007-12-25
• [EN] BENZAMIDE INHIBITORS OF FACTOR Xa<br/>[FR] COMPOSES DE BENZAMIDE, INHIBITEURS DDU FACTOR XA
  申请人：MILLENNIUM PHARM INC

  公开号：WO2002079145A1

  公开（公告）日：2002-10-10

  Novel benzamide compounds of formula (I), their salts and compositions related thereto having activity against mammalian Factor Xa are disclosed. The compounds are useful in vitro or in vivo for preventing or treating coagulation disorders wherein: Ar1, Ar2 and Ar3 are each independently selected from the group consisting of formula (II).