1-phenoxy-3-(α,α-dimethyl-β-isobutyramidoethyl)amino-2-propanol | 53672-40-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-phenoxy-3-(α,α-dimethyl-β-isobutyramidoethyl)amino-2-propanol
• 英文别名: N-[2-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpropyl]-2-methylpropanamide
• CAS: 53672-40-5
• 化学式: C₁₇H₂₈N₂O₃
• 分子量: 308.421
• InChiKey: BQYSVNWXLVDCBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 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：

  1,1-dimethyl-2-isopropylcarbonylaminoethylamine 、 苯基缩水甘油醚 在 sodium hydroxide 作用下， 以 丙醇 为溶剂， 反应 18.0h， 以16%的产率得到1-phenoxy-3-(α,α-dimethyl-β-isobutyramidoethyl)amino-2-propanol
  参考文献：
  名称：

  .beta.-Adrenergic blocking agents. 22. 1-Phenoxy-3-[[(substituted-amido)alkyl]amino]-2-propanols

  摘要：

  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.

  DOI：

  10.1021/jm00353a004

文献信息

• 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：——
• US4131685A
  申请人：——

  公开号：US4131685A

  公开（公告）日：1978-12-26
• US4167581A
  申请人：——

  公开号：US4167581A

  公开（公告）日：1979-09-11
• .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.