(2S)-2-{[(5-chloro-2-thienyl)sulfonyl]amino}-4,4,4-trifluoro-3-(trifluoromethyl)butyl sodium sulfate | 1173254-63-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: (2S)-2-{[(5-chloro-2-thienyl)sulfonyl]amino}-4,4,4-trifluoro-3-(trifluoromethyl)butyl sodium sulfate
• 英文别名: sodium;[(2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-4,4,4-trifluoro-3-(trifluoromethyl)butyl] sulfate
• CAS: 1173254-63-1
• 化学式: C₉H₇ClF₆NO₆S₃*Na
• 分子量: 493.789
• InChiKey: JHCKKFQQGWZWKX-PGMHMLKASA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.73
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  158
• 氢给体数：
  1
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  (2S)-2-{[(5-chloro-2-thienyl)sulfonyl]amino}-4,4,4-trifluoro-3-(trifluoromethyl)butyl Hydrogen Sulfate 在 碳酸氢钠 作用下， 以 水 、 乙酸乙酯 为溶剂， 反应 1.0h， 生成 (2S)-2-{[(5-chloro-2-thienyl)sulfonyl]amino}-4,4,4-trifluoro-3-(trifluoromethyl)butyl sodium sulfate
  参考文献：
  名称：

  COMPOSITIONS CONTAINING O-SULFATE AND O-PHOSPHATE CONTAINING ARYL SULFONAMIDE DERIVATIVES USEFUL AS beta-AMYLOID INHIBITORS

  摘要：

  提供一种具有I或II式结构或其药学上可接受的盐和/或水合物的合成化合物。其中，公式I和公式II定义如下：其中R1为取代芳基或取代杂环芳基；R2和R3分别选自CF3、取代苯基、C1-C4烷基、取代C1-C4烷基、(CF3)nC1-C4烷基、(CF3)n(取代C1-C4烷基)的群，但当R2或R3为CF3时，另一个不是未取代的烷基；R4和R4′分别选自M、C1-C4烷基、苯基和苄基的群，其中M是选择自钠、锂、钙、镁和钾的金属离子，或R4和R4′结合形成环状结构。还提供制备这种化合物的方法和其用途。

  公开号：

  US20090181932A1

文献信息

• [EN] COMPOSITIONS CONTAINING O-SULFATE AND O-PHOSPHATE CONTAINING ARYL SULFONAMIDE DERIVATIVES USEFUL AS BETA-AMYLOID INHIBITORS<br/>[FR] COMPOSITIONS CONTENANT DES DÉRIVÉS D'ARYLSULFONAMIDE CONTENANT DU O-SULFATE ET DU O-PHOSPHATE UTILES EN TANT QU'INHIBITEURS DE BÊTA-AMYLOÏDE
  申请人：WYETH CORP

  公开号：WO2009089237A1

  公开（公告）日：2009-07-16

  A synthetic compound characterized by having the structure of formula I or II or a pharmaceutically acceptable salt and/or hydrate thereof is provided. Formula I and formula II are defined as follows. wherein R1 is substituted aryl or substituted heteroaryl; R2 and R3 are independently selected from the group consisting of CF3, substituted phenyl, C1-C4 alkyl, substituted C1-C4 alkyl, (CF3)nC1-C4 alkyl, (CF3)n(substituted C1-C4 alkyl), provided that when R2 or R3 is CF3, the other is not an unsubstituted alkyl; R4 and R4,are independently selected from the group consisting of M, C1-C4 alkyl, phenyl, and benzyl, wherein M is a metal ion is selected from the group consisting of sodium, lithium, calcium, magnesium and potassium, or R4 and R4, are taken together to form a cyclic structure. Methods of making such compounds and uses thereof are also provided.
• COMPOSITIONS CONTAINING O-SULFATE AND O-PHOSPHATE CONTAINING ARYL SULFONAMIDE DERIVATIVES USEFUL AS beta-AMYLOID INHIBITORS
  申请人：LI David Zenan

  公开号：US20090181932A1

  公开（公告）日：2009-07-16

  A synthetic compound characterized by having the structure of formula I or II or a pharmaceutically acceptable salt and/or hydrate thereof is provided. Formula I and formula II are defined as follows. wherein R 1 is substituted aryl or substituted heteroaryl; R 2 and R 3 are independently selected from the group consisting of CF 3 , substituted phenyl, C 1 -C 4 alkyl, substituted C 1 -C 4 alkyl, (CF 3 ) n C 1 -C 4 alkyl, (CF 3 ) n (substituted C 1 -C 4 alkyl), provided that when R 2 or R 3 is CF 3 , the other is not an unsubstituted alkyl; R 4 and R 4′ are independently selected from the group consisting of M, C 1 -C 4 alkyl, phenyl, and benzyl, wherein M is a metal ion is selected from the group consisting of sodium, lithium, calcium, magnesium and potassium, or R 4 and R 4′ are taken together to form a cyclic structure. Methods of making such compounds and uses thereof are also provided.

  提供一种具有I或II式结构或其药学上可接受的盐和/或水合物的合成化合物。其中，公式I和公式II定义如下：其中R1为取代芳基或取代杂环芳基；R2和R3分别选自CF3、取代苯基、C1-C4烷基、取代C1-C4烷基、(CF3)nC1-C4烷基、(CF3)n(取代C1-C4烷基)的群，但当R2或R3为CF3时，另一个不是未取代的烷基；R4和R4′分别选自M、C1-C4烷基、苯基和苄基的群，其中M是选择自钠、锂、钙、镁和钾的金属离子，或R4和R4′结合形成环状结构。还提供制备这种化合物的方法和其用途。