3-<<2-(4-chloro-3-sulfamoylbenzamido)ethyl>amino>-1-<(3,4-dihydro-3-oxo-2H-1,4-benzothiazin-8-yl)oxy>propan-2-ol | 136291-84-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 3-<<2-(4-chloro-3-sulfamoylbenzamido)ethyl>amino>-1-<(3,4-dihydro-3-oxo-2H-1,4-benzothiazin-8-yl)oxy>propan-2-ol
• 英文别名: 4-Chloro-N-{2-[2-hydroxy-3-(3-oxo-3,4-dihydro-2H-benzo[1,4]thiazin-8-yloxy)-propylamino]-ethyl}-3-sulfamoyl-benzamide；4-chloro-N-[2-[[2-hydroxy-3-[(3-oxo-4H-1,4-benzothiazin-8-yl)oxy]propyl]amino]ethyl]-3-sulfamoylbenzamide
• CAS: 136291-84-4
• 化学式: C₂₀H₂₃ClN₄O₆S₂
• 分子量: 515.011
• InChiKey: UGQSGQACSVHJAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  33
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  194
• 氢给体数：
  5
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  methyl 4-chloro-3-sulfamoylbenzoate 以 乙醇 为溶剂， 反应 19.0h， 生成 3-<<2-(4-chloro-3-sulfamoylbenzamido)ethyl>amino>-1-<(3,4-dihydro-3-oxo-2H-1,4-benzothiazin-8-yl)oxy>propan-2-ol
  参考文献：
  名称：

  Symbiotic approach to drug design: N-[(4-chloro-3-sulfamoylbenzamido)-ethyl]propanolamine derivatives as β-adrenergic blocking agents with diuretic activity

  摘要：

  A series of oxypropanolamines and iminoxypropanolamines, in which the aminic substituent was the 2-(4-chloro-3-sulfamoylbenzamido)-ethyl group, were synthesized as potential beta-blocker/diuretic agents. All of these compounds were tested for beta-1-adrenoceptor affinity and beta-blocking potency. For the most active compounds, diuretic and antihypertensive properties as well as affinity for alpha-1-adrenoceptors were also investigated. Compounds 4 and 10 were found to display contemporaneously beta-blocking, diuretic and antihypertensive activities.

  DOI：

  10.1016/0223-5234(91)90098-8

文献信息

• Symbiotic approach to drug design: N-[(4-chloro-3-sulfamoylbenzamido)-ethyl]propanolamine derivatives as β-adrenergic blocking agents with diuretic activity
  作者：V Cecchetti、F Schiaffella、O Tabarrini、W Zhou、A Fravolini、A Goi、G Bruni、G Segre

  DOI：10.1016/0223-5234(91)90098-8

  日期：1991.6

  A series of oxypropanolamines and iminoxypropanolamines, in which the aminic substituent was the 2-(4-chloro-3-sulfamoylbenzamido)-ethyl group, were synthesized as potential beta-blocker/diuretic agents. All of these compounds were tested for beta-1-adrenoceptor affinity and beta-blocking potency. For the most active compounds, diuretic and antihypertensive properties as well as affinity for alpha-1-adrenoceptors were also investigated. Compounds 4 and 10 were found to display contemporaneously beta-blocking, diuretic and antihypertensive activities.