13-(4-chlorobenzenesulfonyl)-5-methoxy-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 13-(4-chlorobenzenesulfonyl)-5-methoxy-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
• 英文别名: 13-(4-Chloro-benzenesulfonyl)-5-methoxy-4,6,13-triaza-tricyclo[7.3.1.02,7]trideca-2(7),3,5-triene；13-(4-chlorophenyl)sulfonyl-5-methoxy-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene
• 化学式: C₁₇H₁₈ClN₃O₃S
• 分子量: 379.867
• InChiKey: HYPAYUBIPGYTGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  80.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  13-(4-chlorobenzenesulfonyl)-5-methoxy-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 生成 13-(4-Chlorophenyl)sulfonyl-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2(7),3-dien-5-one
  参考文献：
  名称：

  Discovery of sulfonamide–pyrazole γ-secretase inhibitors

  摘要：

  Utilizing a pharmacophore hypothesis, previously described gamma-secretase inhibiting HTS hits were evolved into novel tricyclic sulfonamide-pyrazoles, with high in vitro potency, good brain penetration, low metabolic stability, and high clearance. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.050
• 作为产物：
  描述：

  2-(Chloromethylidene)-9-(4-chlorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-one 、 O-甲基异脲 以 乙醇 为溶剂， 生成 13-(4-chlorobenzenesulfonyl)-5-methoxy-4,6,13-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
  参考文献：
  名称：

  Discovery of sulfonamide–pyrazole γ-secretase inhibitors

  摘要：

  Utilizing a pharmacophore hypothesis, previously described gamma-secretase inhibiting HTS hits were evolved into novel tricyclic sulfonamide-pyrazoles, with high in vitro potency, good brain penetration, low metabolic stability, and high clearance. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.050

文献信息

• Bridged N-Cyclic Sulfonamido Inhibitors of Gamma Secretase
  申请人：Bowers Simeon

  公开号：US20080090817A1

  公开（公告）日：2008-04-17

  The invention provides N-cyclic sulfonamido compounds and salts of Formula I: wherein A is as described in the specification and R 1 and R 2 combine to form a [3.3.1] or a [3.2.1] ring system, where the nitrogen is attached to the two bridgehead carbons, and the [3.3.1] or [3.2.1] ring systems are optionally fused with an heteroaryl or heterocycloalkyl ring. Compounds of Formula I are useful in treating or preventing cognitive disorders, such as Alzheimer's Disease. The invention also encompasses pharmaceutical compositions comprising compounds of Formula I, methods of treating cognitive disorders, such as Alzheimer's disease, and the intermediates useful in preparing the compounds of Formula I.

  本发明提供了N-环状磺酰胺化合物和公式I的盐：其中A如规范所述，而R1和R2组合形成[3.3.1]或[3.2.1]环系统，其中氮连接到两个桥头碳，并且[3.3.1]或[3.2.1]环系统可以与杂环芳基或杂环烷基环融合。公式I的化合物可用于治疗或预防认知障碍，如阿尔茨海默病。本发明还包括包含公式I化合物的制药组合物，治疗认知障碍的方法，如阿尔茨海默病，以及制备公式I化合物的中间体。
• Bridged N-cyclic sulfonamido inhibitors of gamma secretase
  申请人：Elan Pharmaceuticals, Inc.

  公开号：US07345056B2

  公开（公告）日：2008-03-18

  The invention provides N-cyclic sulfonamido compounds and salts of Formula I: wherein A is as described in the specification and R1 and R2 combine to form a [3.3.1] or a [3.2.1] ring system, where the nitrogen is attached to the two bridgehead carbons, and the [3.3.1] or [3.2.1] ring systems are optionally fused with an heteroaryl or heterocycloalkyl ring. Compounds of Formula I are useful in treating or preventing cognitive disorders, such as Alzheimer's Disease. The invention also encompasses pharmaceutical compositions comprising compounds of Formula I, methods of treating cognitive disorders, such as Alzheimer's disease, and the intermediates useful in preparing the compounds of Formula I.

  本发明提供了公式I的N-环磺酰胺化合物和盐，其中A如规范所述，R1和R2结合形成[3.3.1]或[3.2.1]环系统，其中氮原子连接到两个桥头碳原子，并且[3.3.1]或[3.2.1]环系统可以与杂环芳基或杂环烷基环融合。公式I的化合物可用于治疗或预防认知障碍，如阿尔茨海默病。本发明还包括包含公式I化合物的制药组合物，治疗认知障碍的方法，如阿尔茨海默病，以及制备公式I化合物的中间体。
• US7345056B2
  申请人：——

  公开号：US7345056B2

  公开（公告）日：2008-03-18
• US7754712B2
  申请人：——

  公开号：US7754712B2

  公开（公告）日：2010-07-13