(S)-4-(4-methoxyphenyl)-4-oxo-2-trifluoroacetylaminobutanoic acid | 137589-08-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (S)-4-(4-methoxyphenyl)-4-oxo-2-trifluoroacetylaminobutanoic acid
• 英文别名: (2S)-4-(4-methoxyphenyl)-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
• CAS: 137589-08-3
• 化学式: C₁₃H₁₂F₃NO₅
• 分子量: 319.237
• InChiKey: ZAGPLMPPIHGDPB-VIFPVBQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  92.7
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (S)-4-(4-methoxyphenyl)-4-oxo-2-trifluoroacetylaminobutanoic acid 在 palladium on activated charcoal 五氯化磷 、 硫酸 、 氢气 、 四氯化锡 作用下， 以 乙醇 、 溶剂黄146 、 1,2-二氯乙烷 为溶剂， 25.0 ℃ 、101.33 kPa 条件下， 反应 6.0h， 生成 (S)-(-)-2-trifluoroacetylamino-7-methoxy-1,2,3,4-tetrahydronaphthalene
  参考文献：
  名称：

  Synthesis and β-adrenergic activity of atypical β-adrenergic phenylethanolaminotetralin stereoisomers

  摘要：

  A series of substituted phenylethanolaminotetralins were synthesized as pure stereoisomers and their ability to stimulate atypical beta-adrenoceptors selectively was evaluated. The compounds in vitro relative potencies were assessed using the atypical beta response of inhibition of rat proximal colon motility and the typical beta 1 (increase in guinea-pig right atrial frequency) and beta 2 (guinea-pig tracheal relaxation and rat uterus motility inhibition) responses. Compound 42 (SR 58611A) was found to be the most potent and selective.

  DOI：

  10.1016/0223-5234(94)90095-7
• 作为产物：
  描述：

  (S)-(-)-2-(三氟乙酰胺)琥珀酸酐 、 苯甲醚 在 三氯化铝 作用下， 以 硝基甲烷 、 二氯甲烷 为溶剂， 生成 (S)-4-(4-methoxyphenyl)-4-oxo-2-trifluoroacetylaminobutanoic acid
  参考文献：
  名称：

  Synthesis and β-adrenergic activity of atypical β-adrenergic phenylethanolaminotetralin stereoisomers

  摘要：

  A series of substituted phenylethanolaminotetralins were synthesized as pure stereoisomers and their ability to stimulate atypical beta-adrenoceptors selectively was evaluated. The compounds in vitro relative potencies were assessed using the atypical beta response of inhibition of rat proximal colon motility and the typical beta 1 (increase in guinea-pig right atrial frequency) and beta 2 (guinea-pig tracheal relaxation and rat uterus motility inhibition) responses. Compound 42 (SR 58611A) was found to be the most potent and selective.

  DOI：

  10.1016/0223-5234(94)90095-7

文献信息

• Synthesis and β-adrenergic activity of atypical β-adrenergic phenylethanolaminotetralin stereoisomers
  作者：R Cecchi、T Croci、R Boigegrain、S Boveri、M Baroni、G Boccardi、JP Guimbard、U Guzzi

  DOI：10.1016/0223-5234(94)90095-7

  日期：1994.1

  A series of substituted phenylethanolaminotetralins were synthesized as pure stereoisomers and their ability to stimulate atypical beta-adrenoceptors selectively was evaluated. The compounds in vitro relative potencies were assessed using the atypical beta response of inhibition of rat proximal colon motility and the typical beta 1 (increase in guinea-pig right atrial frequency) and beta 2 (guinea-pig tracheal relaxation and rat uterus motility inhibition) responses. Compound 42 (SR 58611A) was found to be the most potent and selective.