N-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethyl]-2-methylpropanamide | 53671-23-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethyl]-2-methylpropanamide
• CAS: 53671-23-1
• 化学式: C₁₆H₂₆N₂O₃
• 分子量: 294.394
• InChiKey: BGULGGJQXFZERH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  21
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  70.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-(2-氨基乙基)-2-甲基丙酰胺 、 邻甲苯缩水甘油醚 在 三乙胺 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以37%的产率得到N-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethyl]-2-methylpropanamide
  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

• CH605666
  申请人：——

  公开号：——

  公开（公告）日：——
• .beta.-Adrenergic blocking agents. 22. 1-Phenoxy-3-[[(substituted-amido)alkyl]amino]-2-propanols
  作者：M. S. Large、L. H. Smith

  DOI：10.1021/jm00353a004

  日期：1982.11

  The synthesis of a series of 1-phenoxy-3-[[(substituted-amido)alkyl]amino]-2-propanols is described. Many of the compounds are more potent than propanolol as beta blockers, while having cardioselectivity comparable to that of practolol, when given intravenously to anesthetized cats. The structure-activity relationships shown by this series of compounds provide further evidence that the addition of substituents to the alkylamino moeity of a beta blocker can confer cardioselectivity and that amidic substituents are remarkably effective.
• LARGE, M. S.;SMITH, L. H., J. MED. CHEM., 1982, 25, N 11, 1286-1292
  作者：LARGE, M. S.、SMITH, L. H.

  DOI：——

  日期：——
• 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.