(2R)-4-[(5-Chloroindol-2-yl)sulfonyl]-1-[{4-(iminopyrrolidinylmethyl)phenyl]methyl}-6-oxopiperazine-2-carboxylic acid | 406496-10-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: (2R)-4-[(5-Chloroindol-2-yl)sulfonyl]-1-[{4-(iminopyrrolidinylmethyl)phenyl]methyl}-6-oxopiperazine-2-carboxylic acid
• 英文别名: (2R)-4-[(5-chloro-1H-indol-2-yl)sulfonyl]-6-oxo-1-[[4-(pyrrolidine-1-carboximidoyl)phenyl]methyl]piperazine-2-carboxylic acid
• CAS: 406496-10-4
• 化学式: C₂₅H₂₆ClN₅O₅S
• 分子量: 544.031
• InChiKey: ZYEONJJVGOGPPQ-OAQYLSRUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  146
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• Piperazin-2-one amides as inhibitors of factor xa
  申请人：——

  公开号：US20040072860A1

  公开（公告）日：2004-04-15

  Novel piperazin-2-one containing compounds of general formulae (I) or (II), including their pharmaceutically acceptable isomers, salts, hydrates, solvates and prodrug derivative having activity against mammalian factor Xa arc described. Compositions containing such compounds are also described. The compounds and the compositions are useful in vitro or in vivo for preventing or treating conditions in mammals characterized by undesired thrombosis.

  通用公式（I）或（II）中含有新颖哌嗪-2-酮类化合物的药物，包括其药学上可接受的异构体、盐、水合物、溶剂合物和具有对哺乳动物凝血因子Xa活性的前药衍生物。还描述了含有这些化合物的组合物。这些化合物和组合物在体外或体内用于预防或治疗哺乳动物中由不良血栓形成特征的疾病。
• PIPERAZIN-2-ONE AMIDES AS INHIBITORS OF FACTOR XA
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：EP1322643A1

  公开（公告）日：2003-07-02
• [EN] PIPERAZIN-2-ONE AMIDES AS INHIBITORS OF FACTOR Xa<br/>[FR] AMIDES PIPERAZINE-2-UN COMME INHIBITEURS DU FACTEUR XA
  申请人：COR THERAPEUTICS INC

  公开号：WO2002026734A1

  公开（公告）日：2002-04-04

  Novel piperazin-2-one containing compounds of general formulae (I) or (II), including their pharmaceutically acceptable isomers, salts, hydrates, solvates and prodrug derivative having activity against mammalian factor Xa are described. Compositions containing such compounds are also described. The compounds and the compositions are useful in vitro or in vivo for preventing or treating conditions in mammals characterized by undesired thrombosis.