(6S,8R)-1-Chloro-3-cyclobutylamino-4-oxo-8-(3-phenyl-propyl)-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid 4-carbamimidoyl-benzylamide hydrochloride

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡嗪类
• 英文名称: (6S,8R)-1-Chloro-3-cyclobutylamino-4-oxo-8-(3-phenyl-propyl)-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid 4-carbamimidoyl-benzylamide hydrochloride
• 英文别名: (6S,8R)-N-[(4-carbamimidoylphenyl)methyl]-1-chloro-3-(cyclobutylamino)-4-oxo-8-(3-phenylpropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;hydrochloride
• 化学式: C29H34Cl2N6O2
• 分子量: 569.5
• InChiKey: KGPSJNUJZGFTJR-QRIJJCFISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.93
• 重原子数：
  39
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  124
• 氢给体数：
  5
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  tert-butyl N-[4-[[[(6S,8R)-1-chloro-3-(cyclobutylamino)-4-oxo-8-(3-phenylpropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carbonyl]amino]methyl]benzenecarboximidoyl]carbamate 、 盐酸 、 1,4-二氧六环 在 甲醇 作用下， 反应 16.0h， 生成 (6S,8R)-1-Chloro-3-cyclobutylamino-4-oxo-8-(3-phenyl-propyl)-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid 4-carbamimidoyl-benzylamide hydrochloride
  参考文献：
  名称：

  Amino-bicyclic pyrazinones and pyridinones as coagulation serine protease inhibitors

  摘要：

  本发明涉及一般抑制丝氨酸蛋白酶的化合物。具体地，它是针对新型氨基双环吡唑酮和吡啶酮化合物的公式（I）或其立体异构体或药学上可接受的盐形式，这些化合物可用作凝血级联反应中丝氨酸蛋白酶酶的选择性抑制剂；例如凝血酶、因子Xa、因子XIa、因子IXa和/或因子VIIa。特别地，它涉及到是因子VIIa抑制剂的化合物。本发明还涉及包含这些化合物的制药组合物和使用它们的方法。

  公开号：

  US07037911B2

文献信息

• AMINO-BICYCLIC PYRAZINONES AND PYRIDINONES AS COAGULATION SERINE PROTEASE INHIBITORS
  申请人：Bristol-Myers Squibb Company

  公开号：EP1523483A2

  公开（公告）日：2005-04-20
• EP1523483A4
  申请人：——

  公开号：EP1523483A4

  公开（公告）日：2006-03-08
• US7037911B2
  申请人：——

  公开号：US7037911B2

  公开（公告）日：2006-05-02
• [EN] AMINO-BICYCLIC PYRAZINONES AND PYRIDINONES AS COAGULATION SERINE PROTEASE INHIBITORS<br/>[FR] PYRAZINONES AMINO-BICYCLIQUES ET PYRIDINONES UTILISEES COMME INHIBITEURS DE COAGULATION DE LA SERINE PROTEASE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2004002405A2

  公开（公告）日：2004-01-08

  The present invention relates generally to compounds that inhibit serine proteases. In particular it is directed to novel amino-bicyclic pyrazinone and pyridinone compounds of Formula (I):or a stereoisomer or pharmaceutically acceptable salt form thereof, which are useful as selective inhibitors of serine protease enzymes of the coagulationcascade; for example thrombin, factor Xa, factor XIa, factor IXa, and/or factor VIIa. In particular, it relates to compounds that are factor VIIa inhibitors. This invention also relates to pharmaceutical compositions comprising these compounds and methods of using the same.
• Amino-bicyclic pyrazinones and pyridinones as coagulation serine protease inhibitors
  申请人：Zhang Xiaojun

  公开号：US20050038030A1

  公开（公告）日：2005-02-17

  The present invention relates generally to compounds that inhibit serine proteases. In particular it is directed to novel amino-bicyclic pyrazinone and pyridinone compounds of Formula (I): or a stereoisomer or pharmaceutically acceptable salt form thereof, which are useful as selective inhibitors of serine protease enzymes of the coagulation cascade; for example thrombin, factor Xa, factor XIa, factor IXa, and/or factor VIIa. In particular, it relates to compounds that are factor VIIa inhibitors. This invention also relates to pharmaceutical compositions comprising these compounds and methods of using the same.

  本发明涉及一般用于抑制丝氨酸蛋白酶的化合物。特别是，本发明涉及公式（I）的新型氨基双环吡唑酮和吡啶酮化合物，或其立体异构体或药学上可接受的盐形式，其作为凝血级联反应中的丝氨酸蛋白酶酶类的选择性抑制剂具有用途，例如凝血酶、因子Xa、因子XIa、因子IXa和/或因子VIIa。特别是，本发明涉及因子VIIa抑制剂化合物。本发明还涉及包括这些化合物的制药组合物以及使用它们的方法。