4,5,6,7-tetrahydrobenzothiophene-2-sulfonamide | 142294-64-2

• 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: 4,5,6,7-tetrahydrobenzothiophene-2-sulfonamide
• 英文别名: 4,5,6,7-tetrahydrobenzo[b]thiophene-2-sulfonamide；4,5,6,7-Tetrahydro-1-benzothiophene-2-sulfonamide
• CAS: 142294-64-2
• 化学式: C₈H₁₁NO₂S₂
• 分子量: 217.313
• InChiKey: YCWJMGLVOQOLQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  96.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4,5,6,7-tetrahydrobenzothiophene-2-sulfonamide 、 3,4-二氯苯异氰酸酯 在 sodium hydroxide 作用下， 以 丙酮 为溶剂， 生成 N-(3,4-dichlorophenyl)-N'-(4,5,6,7-tetrahydrobenzo[b]thiophene-yl-2-sulfonyl)urea
  参考文献：
  名称：

  Sulfonylureas: a new class of cancer chemotherapeutic agents

  摘要：

  This study summarizes the antitumor properties of a number of sulofenur thiophene analogs against subcutaneously implanted 6C3HED lymphosarcoma with structural modification of the aryl moiety of the sulfonamide portion of the diarylsulfonylureas. The spectrum of activity of N-(p-chlorophenyl)-N'-[(5-methoxy-2-thienyl)sulfonyl]urea in the HXGC3, VRC5, CX-1, and LX-1 cell lines is also presented.

  DOI：

  10.1021/jm00094a013
• 作为产物：
  描述：

  4,5,6,7-四氢-1-苯并噻吩 在 氯磺酸 、 ammonium hydroxide 作用下， 以 氯仿 为溶剂， 反应 4.0h， 生成 4,5,6,7-tetrahydrobenzothiophene-2-sulfonamide
  参考文献：
  名称：

  Sulfonylureas: a new class of cancer chemotherapeutic agents

  摘要：

  This study summarizes the antitumor properties of a number of sulofenur thiophene analogs against subcutaneously implanted 6C3HED lymphosarcoma with structural modification of the aryl moiety of the sulfonamide portion of the diarylsulfonylureas. The spectrum of activity of N-(p-chlorophenyl)-N'-[(5-methoxy-2-thienyl)sulfonyl]urea in the HXGC3, VRC5, CX-1, and LX-1 cell lines is also presented.

  DOI：

  10.1021/jm00094a013

文献信息

• Sulfonylureas: a new class of cancer chemotherapeutic agents
  作者：Fariborz Mohamadi、Michael M. Spees、Gerald B. Grindey

  DOI：10.1021/jm00094a013

  日期：1992.8

  This study summarizes the antitumor properties of a number of sulofenur thiophene analogs against subcutaneously implanted 6C3HED lymphosarcoma with structural modification of the aryl moiety of the sulfonamide portion of the diarylsulfonylureas. The spectrum of activity of N-(p-chlorophenyl)-N'-[(5-methoxy-2-thienyl)sulfonyl]urea in the HXGC3, VRC5, CX-1, and LX-1 cell lines is also presented.