(6S,8R)-8-isopropylamino-8-methyl-4-oxo-3-propylamino-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid 4-carbamimidoyl-benzylamide | 639831-85-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: (6S,8R)-8-isopropylamino-8-methyl-4-oxo-3-propylamino-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid 4-carbamimidoyl-benzylamide
• 英文别名: (6S,8R)-N-[(4-carbamimidoylphenyl)methyl]-8-methyl-4-oxo-8-(propan-2-ylamino)-3-(propylamino)-6,7-dihydropyrrolo[1,2-a]pyrimidine-6-carboxamide
• CAS: 639831-85-9
• 化学式: C₂₃H₃₃N₇O₂
• 分子量: 439.561
• InChiKey: DRNOACZZADWTQX-FDDCHVKYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  136
• 氢给体数：
  5
• 氢受体数：
  6

文献信息

• Bicyclic pyrimidinones as coagulation cascade inhibitors
  申请人：——

  公开号：US20040006065A1

  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 pyrimidinone compounds of Formula (I): 1 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.

  本发明一般涉及抑制丝氨酸蛋白酶的化合物。具体而言，本发明涉及式（I）的新型氨基双环嘧啶酮化合物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中丝氨酸蛋白酶的选择性抑制剂；例如凝血酶、X因子a、XI因子a、IX因子a和/或VII因子a。特别是，涉及抑制VII因子a的化合物。本发明还涉及包含这些化合物的药物组合物以及使用相同的方法。
• BICYCLIC PYRIMIDINONES AS COAGULATION CASCADE INHIBITORS
  申请人：Bristol-Myers Squibb Company

  公开号：EP1539762A2

  公开（公告）日：2005-06-15
• US7094783B2
  申请人：——

  公开号：US7094783B2

  公开（公告）日：2006-08-22
• [EN] BICYCLIC PYRIMIDINONES AS COAGULATION CASCADE INHIBITORS<br/>[FR] PYRIMIDINONES BICYCLIQUES INHIBITEURS DE LA CASCADE DE COAGULATION
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2004002406A2

  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 pyrimidinone compounds of Formula (I) or a stereoisomer or pharmaceutically acceptable saltform 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 arefactor VIIa inhibitors. This invention also relates to pharmaceutical compositions comprising these compounds and methods of using the same.