4-(2-(dicyanomethylene)-4-oxothiazolidin-3-yl)-N-(4-methoxy-1,2,5-thiadiazol-3-yl)benzenesulfonamide | 1217859-30-7

• 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-(2-(dicyanomethylene)-4-oxothiazolidin-3-yl)-N-(4-methoxy-1,2,5-thiadiazol-3-yl)benzenesulfonamide
• 英文别名: 4-[2-(dicyanomethylidene)-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methoxy-1,2,5-thiadiazol-3-yl)benzenesulfonamide
• CAS: 1217859-30-7
• 化学式: C₁₅H₁₀N₆O₄S₃
• 分子量: 434.48
• InChiKey: CWNBYKAQIRPMBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  211
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  4-isothiocyanato-N-(4-methoxy-1,2,5-thiadiazol-3-yl)benzenesulfonamide 、 氯乙酸乙酯 、 丙二腈 在 potassium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以63%的产率得到4-(2-(dicyanomethylene)-4-oxothiazolidin-3-yl)-N-(4-methoxy-1,2,5-thiadiazol-3-yl)benzenesulfonamide
  参考文献：
  名称：

  Synthesis of Thiazolidine and Thiophene Derivatives for Evaluation as Anticancer Agents

  摘要：

  The non-isolated adducts (3a,b) were used as key intermediates to synthesize some novel thiazolidine and thiophene derivatives. Compound (4) exhibited a remarkable antitumor activity against EAC cells compared with the Doxorubicin as a positive control.

  DOI：

  10.1080/10426500802561096

文献信息

• Synthesis of Thiazolidine and Thiophene Derivatives for Evaluation as Anticancer Agents
  作者：M. S. A. El-Gaby、Z. H. Ismail、S. M. Abdel-Gawad、H. M. Aly、M. M. Ghorab

  DOI：10.1080/10426500802561096

  日期：2009.10.13

  The non-isolated adducts (3a,b) were used as key intermediates to synthesize some novel thiazolidine and thiophene derivatives. Compound (4) exhibited a remarkable antitumor activity against EAC cells compared with the Doxorubicin as a positive control.