[2-(3,4-Dimethoxy-phenyl)-ethyl]-{2-hydroxy-3-[2-oxo-8-(2-oxo-propoxy)-1,2,3,4-tetrahydro-quinolin-5-yloxy]-propyl}-carbamic acid benzyl ester | 73642-18-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: [2-(3,4-Dimethoxy-phenyl)-ethyl]-{2-hydroxy-3-[2-oxo-8-(2-oxo-propoxy)-1,2,3,4-tetrahydro-quinolin-5-yloxy]-propyl}-carbamic acid benzyl ester
• 英文别名: benzyl N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-hydroxy-3-[[2-oxo-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-5-yl]oxy]propyl]carbamate
• CAS: 73642-18-9
• 化学式: C₃₃H₃₈N₂O₉
• 分子量: 606.673
• InChiKey: WSRYWYCHORPPDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.18
• 重原子数：
  44.0
• 可旋转键数：
  15.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  132.86
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  [2-(3,4-Dimethoxy-phenyl)-ethyl]-{2-hydroxy-3-[2-oxo-8-(2-oxo-propoxy)-1,2,3,4-tetrahydro-quinolin-5-yloxy]-propyl}-carbamic acid benzyl ester 以25%的产率得到
  参考文献：
  名称：

  TOMINAGA, MICHIAKI;TONE, HITOSHI;NAKAGAWA, KAZUYUKI;TAKADA, KAORUKO;HOSHI+, CHEM. AND PHARM. BULL., 1981, 29, N 8, 2166-2181

  摘要：

  DOI：
• 作为产物：
  描述：

  5-<3-(N-benzyloxycarbonyl-3,4-dimethoxyphenethylamino)-2-hydroxypropoxy>-8-hydroxy-3,4-dihydrocarbostyril 生成 [2-(3,4-Dimethoxy-phenyl)-ethyl]-{2-hydroxy-3-[2-oxo-8-(2-oxo-propoxy)-1,2,3,4-tetrahydro-quinolin-5-yloxy]-propyl}-carbamic acid benzyl ester
  参考文献：
  名称：

  TOMINAGA, MICHIAKI;TONE, HITOSHI;NAKAGAWA, KAZUYUKI;TAKADA, KAORUKO;HOSHI+, CHEM. AND PHARM. BULL., 1981, 29, N 8, 2166-2181

  摘要：

  DOI：

文献信息

• Syntheses and .BETA.-adrenergic blocking activities of carbostyril derivatives.
  作者：MICHIAKI TOMINAGA、HITOSHI TONE、KAZUYUKI NAKAGAWA、KAORUKO TAKADA、YO HOSHINO、KOZO WATANABE

  DOI：10.1248/cpb.29.2166

  日期：——

  Many 5-(3-amino-2-hydroxypropoxy)-8-alkoxy and acyloxy-3, 4-dihydrocarbostyrils and 5-(3-amino-2-hydroxypropoxy)-8-alkoxycarbostyrils were synthesized from 5, 8-dihydroxy-3, 4-dihydrocarbostyril, and their β-adrenergic blocking activities were examincd. Among them, 8-acetonyloxy-5-[3-(3, 4-dimethoxyphenethylamino)-2-hydroxypropoxy]-3, 4-dihydrocarbostyril hydrochloride hydrate (IVh) was found to have potent β1-selective adrenergic blocking activity.

  许多5-(3-氨基-2-羟基丙氧基)-8-烷氧基和酰氧基-3,4-二氢羰基苯并吡喃和5-(3-氨基-2-羟基丙氧基)-8-烷氧基羰基苯并吡喃是由5,8-二羟基-3,4-二氢羰基苯并吡喃合成的，并对其β-肾上腺素阻断活性进行了研究。其中，8-乙酰氧基-5-[3-(3,4-二甲氧基苯乙胺基)-2-羟基丙氧基]-3,4-二氢羰基苯并吡喃盐酸盐水合物（IVh）被证明具有强效的β1选择性肾上腺素阻断活性。