N-[(Furan-2-yl)methyl]-5-methyl-2-oxo-1,3-dioxane-5-carboxamide | 918643-57-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二恶烷
• 英文名称: N-[(Furan-2-yl)methyl]-5-methyl-2-oxo-1,3-dioxane-5-carboxamide
• 英文别名: N-(furan-2-ylmethyl)-5-methyl-2-oxo-1,3-dioxane-5-carboxamide
• CAS: 918643-57-9
• 化学式: C₁₁H₁₃NO₅
• 分子量: 239.228
• InChiKey: XRDDHPUEDVBYCQ-UHFFFAOYSA-N

物化性质

• 沸点：
  526.9±50.0 °C(Predicted)
• 密度：
  1.279±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  77.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-methyl-5-benzyloxycarbonyl-1,3-dioxan-2-one 在 palladium on activated charcoal 、 氢气 、 N,N'-二环己基碳二亚胺 作用下， 以 乙酸乙酯 为溶剂， 生成 N-[(Furan-2-yl)methyl]-5-methyl-2-oxo-1,3-dioxane-5-carboxamide
  参考文献：
  名称：

  Method of biomolecule immobilization on polymers using click-type chemistry

  摘要：

  本发明提供了一种在聚合物上共价固定生物分子以传递生物分子的方法，相对于传统的固定技术，该方法具有简单、高效、环保且无副产物的优点。该发明提供了一种改性微/纳米粒子系统，该系统利用功能化聚合物形成微粒或纳米粒子，通过简便的化学方法将分子与粒子结合，其中使用了二烯与二烯丙烯之间的Diels-Alder环加成反应，其中聚合物被功能化为其中之一，而分子被功能化为另一种，或者使用了端炔与叠氮化物之间的Huisgen 1,3-双极环加成反应将分子与粒子结合。这些分子和/或其他治疗剂可以被封装在聚合物微粒中，用于静脉治疗传递。该发明还提供了一种新型的合成可生物降解聚合物，一种基于呋喃/炔基功能化聚(三甲基碳酸酯)(PTMC)的聚合物，其组成可以设计以满足定义的物理和化学性质要求。在一个例子中，粒子系统从含有聚乙二醇(PEG)片段的功能化PTMC共聚物中自聚集。共聚物的组成可以设计以满足各种粒子系统要求，包括大小、热力学稳定性、表面PEG密度、药物封装能力和生物分子固定能力。

  公开号：

  US09290617B2

文献信息

• Method of Biomolecule Immobilization On Polymers Using Click-Type Chemistry
  申请人：Shoichet Molly S.

  公开号：US20090297609A1

  公开（公告）日：2009-12-03

  The present invention provides a method for the covalent immobilization of biomolecules on polymers for delivery of the biomolecules, which has the advantage of being simple, highly efficient, environmentally friendly and free of side products relative to traditional immobilization techniques. The invention provides a modified micro/nanoparticle system, which uses a functionalized polymer formed into micro or nanoparticles to bind a molecule to the particles using uses facile chemistry, the Diels-Alder cycloaddition between a diene and a dienophile with the polymer being functionalized with one of them and the molecule with the other, or the Huisgen 1,3-dipolar cycloaddition between a terminal alkyne and an azide to bind the molecule to the particle. The molecules and/or other therapeutic agents may be encapsulated within the polymer particles for intravenous therapeutic delivery. The invention also provides a novel synthetic biodegradable polymer, a furan/alkyne-functionalized poly(trimethylene carbonate) (PTMC)-based polymer, whose composition can be designed to meet the defined physical and chemical property requirements. In one example, the particle system self-aggregates from functionalized PTMC-based copolymers containing poly(ethylene glycol) (PEG) segments. The composition of the copolymers can be designed to meet various particle system requirements, including size, thermodynamic stability, surface PEG density, drug encapsulation capacity and biomolecule immobilization capacity.
• US9290617B2
  申请人：——

  公开号：US9290617B2

  公开（公告）日：2016-03-22
• Method of biomolecule immobilization on polymers using click-type chemistry
  申请人：Shoichet Molly S.

  公开号：US09290617B2

  公开（公告）日：2016-03-22

  The present invention provides a method for the covalent immobilization of biomolecules on polymers for delivery of the biomolecules, which has the advantage of being simple, highly efficient, environmentally friendly and free of side products relative to traditional immobilization techniques. The invention provides a modified micro/nanoparticle system, which uses a functionalized polymer formed into micro or nanoparticles to bind a molecule to the particles using uses facile chemistry, the Diels-Alder cycloaddition between a diene and a dienophile with the polymer being functionalized with one of them and the molecule with the other, or the Huisgen 1,3-dipolar cycloaddition between a terminal alkyne and an azide to bind the molecule to the particle. The molecules and/or other therapeutic agents may be encapsulated within the polymer particles for intravenous therapeutic delivery. The invention also provides a novel synthetic biodegradable polymer, a furan/alkyne-functionalized poly(trimethylene carbonate) (PTMC)-based polymer, whose composition can be designed to meet the defined physical and chemical property requirements. In one example, the particle system self-aggregates from functionalized PTMC-based copolymers containing poly(ethylene glycol) (PEG) segments. The composition of the copolymers can be designed to meet various particle system requirements, including size, thermodynamic stability, surface PEG density, drug encapsulation capacity and biomolecule immobilization capacity.

  本发明提供了一种在聚合物上共价固定生物分子以传递生物分子的方法，相对于传统的固定技术，该方法具有简单、高效、环保且无副产物的优点。该发明提供了一种改性微/纳米粒子系统，该系统利用功能化聚合物形成微粒或纳米粒子，通过简便的化学方法将分子与粒子结合，其中使用了二烯与二烯丙烯之间的Diels-Alder环加成反应，其中聚合物被功能化为其中之一，而分子被功能化为另一种，或者使用了端炔与叠氮化物之间的Huisgen 1,3-双极环加成反应将分子与粒子结合。这些分子和/或其他治疗剂可以被封装在聚合物微粒中，用于静脉治疗传递。该发明还提供了一种新型的合成可生物降解聚合物，一种基于呋喃/炔基功能化聚(三甲基碳酸酯)(PTMC)的聚合物，其组成可以设计以满足定义的物理和化学性质要求。在一个例子中，粒子系统从含有聚乙二醇(PEG)片段的功能化PTMC共聚物中自聚集。共聚物的组成可以设计以满足各种粒子系统要求，包括大小、热力学稳定性、表面PEG密度、药物封装能力和生物分子固定能力。