2-[3-(1,1-Dimethyl-2-ureido-ethylamino)-2-hydroxy-propoxy]-benzoic acid ethyl ester | 85850-29-9

• 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: 2-[3-(1,1-Dimethyl-2-ureido-ethylamino)-2-hydroxy-propoxy]-benzoic acid ethyl ester
• 英文别名: Ethyl 2-[3-[[1-(carbamoylamino)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]benzoate
• CAS: 85850-29-9
• 化学式: C₁₇H₂₇N₃O₅
• 分子量: 353.418
• InChiKey: FMBQDBACYKMGIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  25
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  123
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  水杨酸乙酯 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium carbonate 、 三乙胺 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 28.0h， 生成 2-[3-(1,1-Dimethyl-2-ureido-ethylamino)-2-hydroxy-propoxy]-benzoic acid ethyl ester
  参考文献：
  名称：

  Ultra-short-acting .beta.-adrenergic receptor blocking agents. 3. Ethylenediamine derivatives of (aryloxy)propanolamines having esters on the aryl function

  摘要：

  Various ethylenediamine derivatives have been incorporated into the nitrogen substituent of certain short-acting (aryloxy)propanolamine systems that contain esters on their aryl functions. Although several of these compounds showed durations of action comparable to their prototypes, most of the nitrogen substituents significantly prolonged the duration of beta-adrenergic blockade. Similarly, while one of the compounds showed appreciable cardioselectivity in vitro, generally, little enhancement of cardioselectivity was obtained. A brief discussion of structure-activity relationships observed for the ethylenediamine derivatives is presented.

  DOI：

  10.1021/jm00362a004

文献信息

• Ultra-short-acting .beta.-adrenergic receptor blocking agents. 3. Ethylenediamine derivatives of (aryloxy)propanolamines having esters on the aryl function
  作者：Paul W. Erhardt、Chi M. Woo、William L. Matier、Richard J. Gorczynski、William G. Anderson

  DOI：10.1021/jm00362a004

  日期：1983.8

  Various ethylenediamine derivatives have been incorporated into the nitrogen substituent of certain short-acting (aryloxy)propanolamine systems that contain esters on their aryl functions. Although several of these compounds showed durations of action comparable to their prototypes, most of the nitrogen substituents significantly prolonged the duration of beta-adrenergic blockade. Similarly, while one of the compounds showed appreciable cardioselectivity in vitro, generally, little enhancement of cardioselectivity was obtained. A brief discussion of structure-activity relationships observed for the ethylenediamine derivatives is presented.