[3-(Tert-butylamino)-2-hydroxypropyl] naphthalene-1-carboxylate | 83231-14-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: [3-(Tert-butylamino)-2-hydroxypropyl] naphthalene-1-carboxylate
• CAS: 83231-14-5
• 化学式: C₁₈H₂₃NO₃
• 分子量: 301.386
• InChiKey: QLTIZZQIVVEWOV-UHFFFAOYSA-N

物化性质

• 沸点：
  466.3±35.0 °C(Predicted)
• 密度：
  1.127±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-(叔-丁基氨基)丙烷-1,2-二醇 、 1-萘甲酰氯 在 吡啶 作用下， 以 甲苯 为溶剂， 反应 2.0h， 生成 [3-(Tert-butylamino)-2-hydroxypropyl] naphthalene-1-carboxylate
  参考文献：
  名称：

  [(Arylcarbonyl)oxy]propanolamines. 1. Novel .beta.-blockers with ultrashort duration of action

  摘要：

  Novel [(arylcarbonyl)oxy]propanolamines were synthesized and investigated as potential ultrashort-acting beta-adrenergic receptor blockers. Many of these analogues exhibited good potency and short duration. The N-ureidoalkyl analogue 85 (ACC-9089) has a potency equal to propranolol and a duration of action of about 21 min in the dog. It has been selected as a candidate for further clinical study. Structure-activity relationships and structure-duration relationships for these new beta-blockers are also discussed.

  DOI：

  10.1021/jm00374a013

文献信息

• [(Arylcarbonyl)oxy]propanolamines. 1. Novel .beta.-blockers with ultrashort duration of action
  作者：Sheung Tsam Kam、William L. Matier、Khuong X. Mai、Cynthia Barcelon-Yang、Robert J. Borgman、John P. O'Donnell、Herman F. Stampfli、Check Y. Sum、William G. Anderson

  DOI：10.1021/jm00374a013

  日期：1984.8

  Novel [(arylcarbonyl)oxy]propanolamines were synthesized and investigated as potential ultrashort-acting beta-adrenergic receptor blockers. Many of these analogues exhibited good potency and short duration. The N-ureidoalkyl analogue 85 (ACC-9089) has a potency equal to propranolol and a duration of action of about 21 min in the dog. It has been selected as a candidate for further clinical study. Structure-activity relationships and structure-duration relationships for these new beta-blockers are also discussed.