1-<(4-chloro-3-sulfamoylphenyl)sulfonyl>-4-(ethoxycarbonyl)piperazine | 145389-79-3

• 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: 1-<(4-chloro-3-sulfamoylphenyl)sulfonyl>-4-(ethoxycarbonyl)piperazine
• 英文别名: Ethyl 4-(4-chloro-3-sulfamoylphenyl)sulfonylpiperazine-1-carboxylate
• CAS: 145389-79-3
• 化学式: C₁₃H₁₈ClN₃O₆S₂
• 分子量: 411.887
• InChiKey: QVIGRQIRSJKRRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  144
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-<(4-chloro-3-sulfamoylphenyl)sulfonyl>-4-(ethoxycarbonyl)piperazine 在 sodium carbonate 作用下， 以 水 为溶剂， 反应 20.0h， 以96%的产率得到1-<(4-chloro-3-sulfamoylphenyl)sulfonyl>piperazine
  参考文献：
  名称：

  o-Chlorobenzenesulfonamidic derivatives of (aryloxy)propanolamines as .beta.-blocking/diuretic agents

  摘要：

  A series of compounds 1b-f, 2b-f, and 3b-f having an o-chlorobenzenesulfonamidic diuretic moiety variously linked to the nitrogen side chain of the beta-blocking (aryloxy)propanolamine pharmacophore were prepared and tested for their beta1-adrenoceptor affinity. For all the active compounds, beta-blocking and diuretic activities were investigated in rats; the structure-activity relationships are discussed Some of the compounds displayed varying levels of both properties and among these, compounds 1c and 2c have been chosen for further development.

  DOI：

  10.1021/jm00053a020
• 作为产物：
  描述：

  N-哌嗪甲酸乙酯 、 2-氯-5-氯磺酰基苯磺酰胺 在 三乙胺 作用下， 以 丙酮 为溶剂， 反应 0.33h， 以53%的产率得到1-<(4-chloro-3-sulfamoylphenyl)sulfonyl>-4-(ethoxycarbonyl)piperazine
  参考文献：
  名称：

  o-Chlorobenzenesulfonamidic derivatives of (aryloxy)propanolamines as .beta.-blocking/diuretic agents

  摘要：

  A series of compounds 1b-f, 2b-f, and 3b-f having an o-chlorobenzenesulfonamidic diuretic moiety variously linked to the nitrogen side chain of the beta-blocking (aryloxy)propanolamine pharmacophore were prepared and tested for their beta1-adrenoceptor affinity. For all the active compounds, beta-blocking and diuretic activities were investigated in rats; the structure-activity relationships are discussed Some of the compounds displayed varying levels of both properties and among these, compounds 1c and 2c have been chosen for further development.

  DOI：

  10.1021/jm00053a020

文献信息

• o-Chlorobenzenesulfonamidic derivatives of (aryloxy)propanolamines as .beta.-blocking/diuretic agents
  作者：Violetta Cecchetti、Arnaldo Fravolini、Fausto Schiaffella、Oriana Tabarrini、Giancarlo Bruni、Giorgio Segre

  DOI：10.1021/jm00053a020

  日期：1993.1

  A series of compounds 1b-f, 2b-f, and 3b-f having an o-chlorobenzenesulfonamidic diuretic moiety variously linked to the nitrogen side chain of the beta-blocking (aryloxy)propanolamine pharmacophore were prepared and tested for their beta1-adrenoceptor affinity. For all the active compounds, beta-blocking and diuretic activities were investigated in rats; the structure-activity relationships are discussed Some of the compounds displayed varying levels of both properties and among these, compounds 1c and 2c have been chosen for further development.