3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-prop-2-ynoxybenzoyl]amino]ethyl]-5-prop-2-ynoxybenzamide | 1326318-77-7

• 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: 3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-prop-2-ynoxybenzoyl]amino]ethyl]-5-prop-2-ynoxybenzamide
• CAS: 1326318-77-7
• 化学式: C₄₄H₆₄N₂O₁₆
• 分子量: 876.996
• InChiKey: FFPNWSBZHWAOCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  62
• 可旋转键数：
  41
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  187
• 氢给体数：
  2
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  5-叠氮基戊酸乙酯 、 3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-prop-2-ynoxybenzoyl]amino]ethyl]-5-prop-2-ynoxybenzamide 在 copper(ll) sulfate pentahydrate 、 sodium ascorbate 作用下， 以 四氢呋喃 、 水 为溶剂， 以89%的产率得到Ethyl 5-[4-[[3-[2-[[3-[[1-(5-ethoxy-5-oxopentyl)triazol-4-yl]methoxy]-5-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzoyl]amino]ethylcarbamoyl]-5-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]methyl]triazol-1-yl]pentanoate
  参考文献：
  名称：

  Temperature Sensitivity Trends and Multi-Stimuli Sensitive Behavior in Amphiphilic Oligomers

  摘要：

  A series of oligomers, containing oligo(ethylene glycol) (OEG) moieties, with the same composition of amphiphilic functionalities has been designed, synthesized, and characterized on the basis of their temperature-sensitive behavior. The non-covalent amphiphilic aggregates, formed from these molecules, influence their temperature sensitivity. Covalent tethering of the amphiphilic units also has a significant influence on their temperature sensitivity. The lower critical solution temperatures of these oligomers show increasingly sharp transitions with increasing numbers of OEG functional groups, indicating enhanced cooperativity in dehydration of the OEG moieties when they are covalently tethered. These molecules were also engineered to be concurrently sensitive to enzymatic reaction and pH. This possibility was investigated using porcine liver esterase as the enzyme; we show that enzymatic action on the pentamer lowers its temperature sensitivity. The product moiety from the enzymatic reaction also gives the amphiphilic oligomer a pH-dependent temperature sensitivity.

  DOI：

  10.1021/ja204121a
• 作为产物：
  描述：

  在 potassium carbonate 、 三乙胺 、 potassium hydroxide 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 生成 3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-prop-2-ynoxybenzoyl]amino]ethyl]-5-prop-2-ynoxybenzamide
  参考文献：
  名称：

  Temperature Sensitivity Trends and Multi-Stimuli Sensitive Behavior in Amphiphilic Oligomers

  摘要：

  A series of oligomers, containing oligo(ethylene glycol) (OEG) moieties, with the same composition of amphiphilic functionalities has been designed, synthesized, and characterized on the basis of their temperature-sensitive behavior. The non-covalent amphiphilic aggregates, formed from these molecules, influence their temperature sensitivity. Covalent tethering of the amphiphilic units also has a significant influence on their temperature sensitivity. The lower critical solution temperatures of these oligomers show increasingly sharp transitions with increasing numbers of OEG functional groups, indicating enhanced cooperativity in dehydration of the OEG moieties when they are covalently tethered. These molecules were also engineered to be concurrently sensitive to enzymatic reaction and pH. This possibility was investigated using porcine liver esterase as the enzyme; we show that enzymatic action on the pentamer lowers its temperature sensitivity. The product moiety from the enzymatic reaction also gives the amphiphilic oligomer a pH-dependent temperature sensitivity.

  DOI：

  10.1021/ja204121a