9-(4-Chlorophenyl)sulfonyl-3-thia-9-azabicyclo[3.3.1]nonan-7-one | 1205682-26-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 9-(4-Chlorophenyl)sulfonyl-3-thia-9-azabicyclo[3.3.1]nonan-7-one
• CAS: 1205682-26-3
• 化学式: C₁₃H₁₄ClNO₃S₂
• 分子量: 331.844
• InChiKey: CJGRHNYFZXLZMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  88.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  9-(4-Chlorophenyl)sulfonyl-3-thia-9-azabicyclo[3.3.1]nonan-7-one 、 甲酸乙酯 在 sodium ethanolate 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  N-Bridged bicyclic sulfonamides as inhibitors of γ-secretase

  摘要：

  The structural modification of a series of [3.3.1] bicyclic sulfonamide based gamma-secretase inhibitors is described. Appropriate substitution on the bicyclic scaffold provides a significant increase in the metabolic stability of the compounds resulting in an improved in vivo metabolic profile. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.060
• 作为产物：
  描述：

  3-Thia-9-azabicyclo[3.3.1]nonan-7-one 、 4-氯苯磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 9-(4-Chlorophenyl)sulfonyl-3-thia-9-azabicyclo[3.3.1]nonan-7-one
  参考文献：
  名称：

  N-Bridged bicyclic sulfonamides as inhibitors of γ-secretase

  摘要：

  The structural modification of a series of [3.3.1] bicyclic sulfonamide based gamma-secretase inhibitors is described. Appropriate substitution on the bicyclic scaffold provides a significant increase in the metabolic stability of the compounds resulting in an improved in vivo metabolic profile. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.060

文献信息

• Bridged N-Bicyclic Sulfonamido Inhibitors of Gamma Secretase
  申请人：Konradi Andrei W.

  公开号：US20110178119A1

  公开（公告）日：2011-07-21

  The invention provides N-bicyclic sulfonamido compounds 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. 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) as well as methods of treating cognitive disorders, such as Alzheimer's disease.

  本发明提供了公式（I）的N-双环磺酰胺化合物，其中A如说明书所述，R1和R2结合形成[3.3.1]或[3.2.1]环系统。公式I的化合物在治疗或预防认知障碍，如阿尔茨海默病方面具有用途。本发明还包括含有公式（I）的药物组合物以及治疗认知障碍，如阿尔茨海默病的方法。
• N-Bridged bicyclic sulfonamides as inhibitors of γ-secretase
  作者：Simeon Bowers、Gary D. Probst、Anh P. Truong、Roy K. Hom、Andrei W. Konradi、Hing L. Sham、Albert W. Garofalo、Karina Wong、Erich Goldbach、Kevin P. Quinn、John-Michael Sauer、William Wallace、Lan Nguyen、Susanna S. Hemphill、Michael P. Bova、Guriqbal S. Basi

  DOI：10.1016/j.bmcl.2009.10.060

  日期：2009.12

  The structural modification of a series of [3.3.1] bicyclic sulfonamide based gamma-secretase inhibitors is described. Appropriate substitution on the bicyclic scaffold provides a significant increase in the metabolic stability of the compounds resulting in an improved in vivo metabolic profile. (C) 2009 Elsevier Ltd. All rights reserved.