ethyl (2S)-2-acetamido-3-[4-[2-(N-ethyl-3-methylanilino)ethoxy]phenyl]propanoate | 937704-82-0

• 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: ethyl (2S)-2-acetamido-3-[4-[2-(N-ethyl-3-methylanilino)ethoxy]phenyl]propanoate
• CAS: 937704-82-0
• 化学式: C₂₄H₃₂N₂O₄
• 分子量: 412.529
• InChiKey: YDPROWZAWXPSPB-QHCPKHFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  30
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl (2S)-2-acetamido-3-[4-[2-(N-ethyl-3-methylanilino)ethoxy]phenyl]propanoate 在 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 (2S)-2-acetamido-3-[4-[2-(N-ethyl-3-methylanilino)ethoxy]phenyl]propanoic acid
  参考文献：
  名称：

  Synthesis and evaluation of N-acetyl-l-tyrosine based compounds as PPARα selective activators

  摘要：

  The development of type 2 diabetes in obese individuals is linked to lipid accumulation in non-adipose tissues. A series of N-acetyl-L-tyrosine derivatives were synthesized and evaluated for PPAR transactivation. Compounds 4d and 4f were found to show better PPAR alpha transactivation as compared to PPAR gamma. Molecular docking analysis was carried out to study their important interactions with the active site of PPAR alpha. (c) 2006 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2006.11.005
• 作为产物：
  描述：

  N-乙酰-L-酪氨酸 在 氯化亚砜 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 生成 ethyl (2S)-2-acetamido-3-[4-[2-(N-ethyl-3-methylanilino)ethoxy]phenyl]propanoate
  参考文献：
  名称：

  Synthesis and evaluation of N-acetyl-l-tyrosine based compounds as PPARα selective activators

  摘要：

  The development of type 2 diabetes in obese individuals is linked to lipid accumulation in non-adipose tissues. A series of N-acetyl-L-tyrosine derivatives were synthesized and evaluated for PPAR transactivation. Compounds 4d and 4f were found to show better PPAR alpha transactivation as compared to PPAR gamma. Molecular docking analysis was carried out to study their important interactions with the active site of PPAR alpha. (c) 2006 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2006.11.005

文献信息

• Synthesis and evaluation of N-acetyl-l-tyrosine based compounds as PPARα selective activators
  作者：Rakesh Kumar、Uma Ramachandran、Suryaprakash Raichur、Ranjan Chakrabarti、Rahul Jain

  DOI：10.1016/j.ejmech.2006.11.005

  日期：2007.4

  The development of type 2 diabetes in obese individuals is linked to lipid accumulation in non-adipose tissues. A series of N-acetyl-L-tyrosine derivatives were synthesized and evaluated for PPAR transactivation. Compounds 4d and 4f were found to show better PPAR alpha transactivation as compared to PPAR gamma. Molecular docking analysis was carried out to study their important interactions with the active site of PPAR alpha. (c) 2006 Elsevier Masson SAS. All rights reserved.