N-(5-chloropyridin-2-yl)-2-(4-(N,N-diethylcarbamimidoyl)benzamido)benzamide | 330940-23-3

• 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-(5-chloropyridin-2-yl)-2-(4-(N,N-diethylcarbamimidoyl)benzamido)benzamide
• 英文别名: N-(5-chloropyridin-2-yl)-2-[[4-(N,N-diethylcarbamimidoyl)benzoyl]amino]benzamide
• CAS: 330940-23-3
• 化学式: C₂₄H₂₄ClN₅O₂
• 分子量: 449.94
• InChiKey: NXYGOSJGMZNVSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  98.2
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  methyl 4-((2-((5-chloropyridin-2-yl)carbamoyl)phenyl)carbamoyl)benzimidothioate 、 二乙胺 在 溶剂黄146 作用下， 以 甲醇 为溶剂， 生成 N-(5-chloropyridin-2-yl)-2-(4-(N,N-diethylcarbamimidoyl)benzamido)benzamide
  参考文献：
  名称：

  Anthranilamide-based N,N-dialkylbenzamidines as potent and orally bioavailable factor Xa inhibitors: P4 SAR

  摘要：

  Anthranilamide-based benzamidine compound 4 and its N-substituted analogs were designed and examined as factor Xa inhibitors using substituted benzamidines as unconventional S4 binding element. A group of N,N-dialkylbenzamidines (11, 17 and 24) have been discovered as potent factor Xa inhibitors with strong anticoagulant activity and promising oral PK profiles. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.114

文献信息

• BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA
  申请人：Zhu Bing-Yan

  公开号：US20090131411A1

  公开（公告）日：2009-05-21

  Novel benzamide compounds including their pharmaceutically acceptable isomers, salts, hydrates, solvates and prodrug derivatives having activity against mammalian factor Xa are described. Compositions containing such compounds are also described. The compounds and compositions are useful in vitro or in vivo for preventing or treating coagulation disorders.

  本发明涉及一种新型苯甲酰胺类化合物，包括其药学上可接受的异构体，盐，水合物，溶剂合物和前药衍生物，具有对哺乳动物因子Xa的活性。本发明还涉及含有这种化合物的组合物。这些化合物和组合物在体内或体外用于预防或治疗凝血障碍。
• Benzamides and related inhibitors of factor Xa
  申请人：Zhu Bing-Yan

  公开号：US20070021472A1

  公开（公告）日：2007-01-25

  Novel benzamide compounds including their pharmaceutically acceptable isomers, salts, hydrates, solvates and prodrug derivatives having activity against mammalian factor Xa are described. Compositions containing such compounds are also described. The compounds and compositions are useful in vitro or in vivo for preventing or treating coagulation disorders.

  本发明涉及一种新型苯甲酰胺类化合物，包括其药学上可接受的异构体、盐、水合物、溶剂合物和前药衍生物，其对哺乳动物因子Xa具有活性。本发明还描述了含有这种化合物的组合物。这些化合物和组合物在体外或体内用于预防或治疗凝血障碍。
• US7285565B2
  申请人：——

  公开号：US7285565B2

  公开（公告）日：2007-10-23
• US7314874B2
  申请人：——

  公开号：US7314874B2

  公开（公告）日：2008-01-01
• US7727981B2
  申请人：——

  公开号：US7727981B2

  公开（公告）日：2010-06-01