3-<(3,4-dimethoxyphenethyl)(4-methoxybenzyloxycarbonyl)amino>-2-hydroxypropionic acid | 83230-58-4

• 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-<(3,4-dimethoxyphenethyl)(4-methoxybenzyloxycarbonyl)amino>-2-hydroxypropionic acid
• 英文别名: 3-[[N-(3,4-Dimethoxyphenethyl)-N-(4-methoxybenzyloxycarbonyl)]amino]-2-hydroxypropionic Acid；3-[2-(3,4-Dimethoxyphenyl)ethyl-[(4-methoxyphenyl)methoxycarbonyl]amino]-2-hydroxypropanoic acid
• CAS: 83230-58-4
• 化学式: C₂₂H₂₇NO₈
• 分子量: 433.458
• InChiKey: ZVWWKHOELNQMIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  31
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  115
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3-<(3,4-dimethoxyphenethyl)(4-methoxybenzyloxycarbonyl)amino>-2-hydroxypropionic acid 在 盐酸 、 对甲苯磺酸 、 咪唑钠 、 N,N'-羰基二咪唑 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 16.5h， 生成 phenyl 3-<(3,4-dimethoxyphenethyl)amino>-2-hydroxypropionate hydrochloride
  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
• 作为产物：
  描述：

  3,4-二甲氧基苯乙胺 在 碳酸氢钠 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 31.0h， 生成 3-<(3,4-dimethoxyphenethyl)(4-methoxybenzyloxycarbonyl)amino>-2-hydroxypropionic acid
  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

• KAM, SHEUNG-TSAM;ERHARDT, P. W.;BORGMAN, R. J.;ODONNELL, J. P.
  作者：KAM, SHEUNG-TSAM、ERHARDT, P. W.、BORGMAN, R. J.、ODONNELL, J. P.

  DOI：——

  日期：——
• Method for treatment or prophylaxis of cardiac disorders
  申请人：AMERICAN HOSPITAL SUPPLY CORPORATION

  公开号：EP0053436B1

  公开（公告）日：1986-03-12
• METHOD FOR TREATMENT OR PROPHYLAXIS OF CARDIAC DISORDERS
  申请人：AMERICAN HOSPITAL SUPPLY CORPORATION

  公开号：EP0065964B1

  公开（公告）日：1985-10-23
• US4405642A
  申请人：——

  公开号：US4405642A

  公开（公告）日：1983-09-20
• US4604481A
  申请人：——

  公开号：US4604481A

  公开（公告）日：1986-08-05