3-(isopropylamino)-2-hydroxypropyl benzoate | 83231-44-1

• 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: 3-(isopropylamino)-2-hydroxypropyl benzoate
• 英文别名: [2-Hydroxy-3-(propan-2-ylamino)propyl] benzoate
• CAS: 83231-44-1
• 化学式: C₁₃H₁₉NO₃
• 分子量: 237.299
• InChiKey: WKLFEQMFZSMKEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 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：

  2,3-环氧丙基苯甲酸酯 、 异丙胺 反应 16.0h， 以22%的产率得到3-(isopropylamino)-2-hydroxypropyl benzoate
  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

• METHOD FOR TREATMENT OR PROPHYLAXIS OF CARDIAC DISORDERS
  申请人：AMERICAN HOSPITAL SUPPLY CORPORATION

  公开号：EP0065964A1

  公开（公告）日：1982-12-08
• EP0065964A4
  申请人：——

  公开号：EP0065964A4

  公开（公告）日：1983-04-06
• [EN] METHOD FOR TREATMENT OR PROPHYLAXIS OF CARDIAC DISORDERS
  申请人：AMERICAN HOSPITAL SUPPLY CORPORATION

  公开号：WO1982001868A1

  公开（公告）日：1982-06-10

  (EN) A method for the treatment or prophylaxis of cardiac disorders in a mammal, comprising administering to such mammal a short-acting (Beta)-blocking compound of the formula: (FORMULA) wherein X is an ester-containing group; R may be lower alkyl, aralkyl or an ester-containing group; R1 may be lower alkyl; and Ar may be substituted or unsubstituted aromatic; or a pharmaceutically acceptable salt thereof. Novel compounds possessing short acting (Beta)-adrenergic blocking activity are also disclosed. (FR) Procede de traitement ou de prophylaxie des troubles cardiaques chez un mammifere, consistant a administrer a ce mammifere un compose de blocage (Beta) a effet de courte duree de formule: (FORMULE) ou X est un groupe contenant un ester; R peut etre un alkyle inferieur, un aralkyle ou un groupe contenant un ester; R1 peut etre un alkyle inferieur; et Ar peut etre un groupe aromatique substitue ou non substitue; ou son sel pharmaceutiquement acceptable. De nouveaux composes possedant une activite de blocage adrenergique (Beta) a effet de courte duree sont egalement decrits.
• [(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.