4-chloro-N-((3-iodo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazol-4-yl)methylene)benzenesulfonamide | 959997-48-9

• 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: 4-chloro-N-((3-iodo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazol-4-yl)methylene)benzenesulfonamide
• 英文别名: 4-chloro-N-[[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methylidene]benzenesulfonamide
• CAS: 959997-48-9
• 化学式: C₁₆H₂₁ClIN₃O₃SSi
• 分子量: 525.87
• InChiKey: GDVWJEWTQZMJOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.26
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  81.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-chloro-N-((3-iodo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazol-4-yl)methylene)benzenesulfonamide 、 甲基溴化镁 以 四氢呋喃 为溶剂， 生成 4-Chloro-N-(1-(3-iodo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazol-4-yl)ethyl)benzenesulfonamide
  参考文献：
  名称：

  Design, synthesis, and structure–activity relationship of novel orally efficacious pyrazole/sulfonamide based dihydroquinoline γ-secretase inhibitors

  摘要：

  In this Letter, we report our strategy to design potent and metabolically stable gamma-secretase inhibitors that are efficacious in reducing the cortical A beta x-40 levels in FVB mice via a single PO dose. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.092
• 作为产物：
  描述：

  4-氯苯磺酰胺 、 3-iodo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazole-4-carbaldehyde 在 titanium(IV)isopropoxide 作用下， 以 四氢呋喃 为溶剂， 生成 4-chloro-N-((3-iodo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazol-4-yl)methylene)benzenesulfonamide
  参考文献：
  名称：

  Design, synthesis, and structure–activity relationship of novel orally efficacious pyrazole/sulfonamide based dihydroquinoline γ-secretase inhibitors

  摘要：

  In this Letter, we report our strategy to design potent and metabolically stable gamma-secretase inhibitors that are efficacious in reducing the cortical A beta x-40 levels in FVB mice via a single PO dose. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.092

文献信息

• Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase
  申请人：Konradi W. Andrei

  公开号：US20080021056A1

  公开（公告）日：2008-01-24

  The invention provides compounds of formula I: or pharmaceutically salts thereof where R 1 , R 2 , and the A, B, and C-rings are as defined herein. 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 or salts of formula I, methods of preparing the desired compounds, and methods of treating cognitive disorders, such as Alzheimer's disease, using the compounds or salts of formula I.

  本发明提供式I的化合物或其药学盐，其中R1、R2和A、B和C环如本文所定义。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是有用的。本发明还包括包含式I的化合物或盐的制药组合物，制备所需化合物的方法，以及使用式I的化合物或盐治疗认知障碍，如阿尔茨海默病的方法。