6-sulfamoyl-10,11-dihydro-dibenzo[b,f][1,4]thiazepine-8-carboxylic acid methyl ester | 66984-03-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫氮卓类
• 英文名称: 6-sulfamoyl-10,11-dihydro-dibenzo[b,f][1,4]thiazepine-8-carboxylic acid methyl ester
• 英文别名: methyl 1-sulfamoyl-5,6-dihydrobenzo[b][1,4]benzothiazepine-3-carboxylate
• CAS: 66984-03-0
• 化学式: C₁₅H₁₄N₂O₄S₂
• 分子量: 350.419
• InChiKey: MZVVDIPYDOZZCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  23.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  98.49
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  6-sulfamoyl-10,11-dihydro-dibenzo[b,f][1,4]thiazepine-8-carboxylic acid methyl ester 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 0.5h， 生成 6-sulfamoyl-10,11-dihydro-dibenzo[b,f][1,4]thiazepine-8-carboxylic acid
  参考文献：
  名称：

  8-Carboxy-6-sulfamyldibenz[b,f][1,4]oxazepines and -thiazepines as potential high-ceiling diuretics

  摘要：

  The synthesis of several 8-carboxy-6-sulfamyldibenz[b,f][1,4]oxazepines and -thiazepines is described. The results of diuretic screening lend support to the thesis that activity is strongly dependent on the conformational mobility of 4-substituents in the 3-amino-5-sulfamylbenzoic acids.

  DOI：

  10.1021/jm00206a027
• 作为产物：
  描述：

  11-chloro-6-sulfamoyl-dibenzo[b,f][1,4]thiazepine-8-carboxylic acid methyl ester 在 palladium on activated charcoal 氢气 作用下， 以 四氢呋喃 、 溶剂黄146 为溶剂， 55.0~60.0 ℃ 、344.73 kPa 条件下， 生成 6-sulfamoyl-10,11-dihydro-dibenzo[b,f][1,4]thiazepine-8-carboxylic acid methyl ester
  参考文献：
  名称：

  8-Carboxy-6-sulfamyldibenz[b,f][1,4]oxazepines and -thiazepines as potential high-ceiling diuretics

  摘要：

  The synthesis of several 8-carboxy-6-sulfamyldibenz[b,f][1,4]oxazepines and -thiazepines is described. The results of diuretic screening lend support to the thesis that activity is strongly dependent on the conformational mobility of 4-substituents in the 3-amino-5-sulfamylbenzoic acids.

  DOI：

  10.1021/jm00206a027

文献信息

• ALLEN R. C.; REITANO P. A.; URBACH H., J. MED. CHEM., 1978, 21, NO 8, 838-840
  作者：ALLEN R. C.、 REITANO P. A.、 URBACH H.

  DOI：——

  日期：——