(S)-(+)-4-(4-methoxyphenyl)-2-trifluoroacetylaminobutanoic acid | 137589-09-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (S)-(+)-4-(4-methoxyphenyl)-2-trifluoroacetylaminobutanoic acid
• 英文别名: (2S)-4-(4-methoxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
• CAS: 137589-09-4
• 化学式: C₁₃H₁₄F₃NO₄
• 分子量: 305.254
• InChiKey: PQXVMYTWAYKFHQ-JTQLQIEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (S)-(+)-4-(4-methoxyphenyl)-2-trifluoroacetylaminobutanoic acid 在 palladium on activated charcoal 五氯化磷 、 硫酸 、 氢气 、 四氯化锡 作用下， 以 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 在 palladium on activated charcoal 三氯化铝 、 硫酸 、 氢气 作用下， 以 硝基甲烷 、 乙醇 、 二氯甲烷 为溶剂， 5.0~25.0 ℃ 、101.33 kPa 条件下， 反应 1.0h， 生成 (S)-(+)-4-(4-methoxyphenyl)-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.