2-(5-Amino-1H-imidazol-2-yl)-4-5-[(2R,6S)-2,6-dimethyltetrahydro-1(2H)-pyridinyl]pentyl-2H-1,4-benzothiazin-3(4H)-one | 244617-17-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-(5-Amino-1H-imidazol-2-yl)-4-5-[(2R,6S)-2,6-dimethyltetrahydro-1(2H)-pyridinyl]pentyl-2H-1,4-benzothiazin-3(4H)-one
• 英文别名: 2-(5-amino-1H-imidazol-2-yl)-4-[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentyl]-1,4-benzothiazin-3-one
• CAS: 244617-17-2
• 化学式: C₂₃H₃₃N₅OS
• 分子量: 427.614
• InChiKey: QUUDRUUWGPRDKB-QRTHJKPMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Benoxazinones/benzothiazinones as serine protease inhibitors
  申请人：——

  公开号：US20030187256A1

  公开（公告）日：2003-10-02

  This invention discloses benzoxazinone and benzothiazinone compounds which display inhibitory effects on serine proteases such as factor Xa, thrombin, and/or factor VIIa. The invention also discloses pharmaceutically acceptable salts of the compounds, pharmaceutically acceptable compositions comprising the compounds or their salts, and methods of using them as therapeutic agents for treating or preventing disease states in mammals characterized by abnormal thrombosis.

  本发明揭示了苯并噁嗪和苯并噻嗪化合物，这些化合物对丝氨酸蛋白酶如Xa因子，凝血酶和/或VIIa因子具有抑制作用。本发明还揭示了这些化合物的药学上可接受的盐，包含这些化合物或其盐的药学上可接受的组合物，以及将它们用作治疗或预防哺乳动物异常血栓病状态的治疗剂的方法。
• BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP1068191A1

  公开（公告）日：2001-01-17
• US6509335B1
  申请人：——

  公开号：US6509335B1

  公开（公告）日：2003-01-21
• [EN] BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS<br/>[FR] BENZOXAZINONES/BENZOTHIAZINONES UTILISEES COMME INHIBITEURS DE SERINES-PROTEASES
  申请人：WARNER-LAMBERT COMPANY

  公开号：WO1999050257A1

  公开（公告）日：1999-10-07

  (EN) This invention discloses benzoxazinone and benzothiazinone compounds which display inhibitory effects on serine proteases such as factor Xa, thrombin, and/or factor VIIa. The invention also discloses pharmaceutically acceptable salts of the compounds, pharmaceutically acceptable compositions comprising the compounds or their salts, and methods of using them as therapeutic agents for treating or preventing disease states in mammals characterized by abnormal thrombosis.(FR) L'invention concerne des composés de benzoxazinone et de benzothiazinone qui ont des effets inhibiteurs sur des sérines-protéases telles que le facteur Xa, la thrombine et/ou le facteur VIIa. L'invention concerne également des sels pharmaceutiquement acceptables de ces composés, des compositions pharmaceutiquement acceptables contenant ces composés ou leurs sels, ainsi que des méthodes pour les utiliser comme agents thérapeutiques pour traiter ou prévenir chez des mammifères des états pathologiques caractérisés par une thrombose anormale.