(R)-2-[4-Methoxy-3-(4-trifluoromethyl-benzylcarbamoyl)-benzyl]-butyric acid methyl ester | 440356-93-4

• 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: (R)-2-[4-Methoxy-3-(4-trifluoromethyl-benzylcarbamoyl)-benzyl]-butyric acid methyl ester
• CAS: 440356-93-4
• 化学式: C₂₂H₂₄F₃NO₄
• 分子量: 423.432
• InChiKey: UQXDWERNUVACKA-MRXNPFEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.39
• 重原子数：
  30.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  64.63
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (R)-2-[4-Methoxy-3-(4-trifluoromethyl-benzylcarbamoyl)-benzyl]-butyric acid methyl ester 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 (-)-2-ethyl-3-[4-methoxy-3-[N-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]propanoic acid
  参考文献：
  名称：

  Enantio-dependent binding and transactivation of optically active phenylpropanoic acid derivatives at human peroxisome proliferator-activated receptor alpha

  摘要：

  Optically active phenylpropanoic acid derivatives [(S)-5. and (R)-5] were prepared, and their affinities for peroxisome proliferator-activated receptor (PPAR)alpha and PPARgamma were evaluated. Binding assay and cell-based reporter assay indicated that the activity of these compounds is enantio-dependent, and resides exclusively on the (S)-isomer. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00732-6
• 作为产物：
  描述：

  (R)-2-(3-Formyl-4-methoxy-benzyl)-butyric acid methyl ester 在 chromium(VI) oxide 、 2-chloro-1,3-dimethyl imidazolium chloride 、 硫酸 、 三乙胺 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 生成 (R)-2-[4-Methoxy-3-(4-trifluoromethyl-benzylcarbamoyl)-benzyl]-butyric acid methyl ester
  参考文献：
  名称：

  Enantio-dependent binding and transactivation of optically active phenylpropanoic acid derivatives at human peroxisome proliferator-activated receptor alpha

  摘要：

  Optically active phenylpropanoic acid derivatives [(S)-5. and (R)-5] were prepared, and their affinities for peroxisome proliferator-activated receptor (PPAR)alpha and PPARgamma were evaluated. Binding assay and cell-based reporter assay indicated that the activity of these compounds is enantio-dependent, and resides exclusively on the (S)-isomer. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00732-6