methyl-3-(4-(2-chloroethoxy)phenyl)-propanoate | 1232305-61-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: methyl-3-(4-(2-chloroethoxy)phenyl)-propanoate
• 英文别名: methyl 3-(4-(2-chloroethoxy)phenyl)propanoate；methyl 3-[4-(2-chloroethoxy)phenyl]propanoate
• CAS: 1232305-61-1
• 化学式: C₁₂H₁₅ClO₃
• 分子量: 242.702
• InChiKey: RLSHFZUCFDFZTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl-3-(4-(2-chloroethoxy)phenyl)-propanoate 在 sodium azide 、 18-冠醚-6 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 11.0h， 以75%的产率得到methyl 3-(4-(2-azidoethoxy)phenyl)propanoate
  参考文献：
  名称：

  具有精确官能团数量的树枝状聚合物的分离和表征

  摘要：

  精密树枝状聚合物：分离出具有精确数量功能配体的九种不同树枝状聚合物成分，从而使每种成分的纯度提高了一个数量级。

  DOI：

  10.1002/chem.201001175
• 作为产物：
  描述：

  对羟基苯丙酸甲酯 、 1-溴-2-氯乙烷 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 43.0h， 以33%的产率得到methyl-3-(4-(2-chloroethoxy)phenyl)-propanoate
  参考文献：
  名称：

  具有精确官能团数量的树枝状聚合物的分离和表征

  摘要：

  精密树枝状聚合物：分离出具有精确数量功能配体的九种不同树枝状聚合物成分，从而使每种成分的纯度提高了一个数量级。

  DOI：

  10.1002/chem.201001175

文献信息

• Design, Synthesis, and Biological Functionality of a Dendrimer-Based Modular Drug Delivery Platform
  作者：Douglas G. Mullen、Daniel Q. McNerny、Ankur Desai、Xue-min Cheng、Stassi C. DiMaggio、Alina Kotlyar、Yueyang Zhong、Suyang Qin、Christopher V. Kelly、Thommey P. Thomas、Istvan Majoros、Bradford G. Orr、James R. Baker、Mark M. Banaszak Holl

  DOI：10.1021/bc100360v

  日期：2011.4.20

  drug delivery platform was designed to improve upon existing limitations in single dendrimer systems. Using this modular strategy, a biologically active platform containing receptor mediated targeting and fluorescence imaging modules was synthesized by coupling a folic acid (FA) conjugated dendrimer with a fluorescein isothiocyanate (FITC) conjugated dendrimer. The two different dendrimer modules were

  一个模块化的基于树枝状大分子的药物递送平台旨在改善单个树枝状大分子系统的现有局限性。使用这种模块化策略，通过将叶酸 (FA) 共轭树枝状聚合物与异硫氰酸荧光素 (FITC) 共轭树枝状聚合物偶联，合成了包含受体介导的靶向和荧光成像模块的生物活性平台。两种不同的树枝状聚合物模块通过第一个树枝状聚合物表面上的炔烃部分和第二个树枝状聚合物上的叠氮化物部分之间的 1,3-偶极环加成反应（“点击”化学反应）偶联。还合成了两个简化的模型系统，以开发适当的“点击”反应条件并有助于光谱分配。共轭物的特点是1H NMR 光谱和 NOESY。FA-FITC 模块化平台在体外用人上皮癌细胞系 (KB)进行了评估，发现它专门针对过表达的叶酸受体。
• DENDRIMER BASED MODULAR PLATFORMS
  申请人：Baker, JR. James R.

  公开号：US20100158850A1

  公开（公告）日：2010-06-24

  The present invention relates to novel therapeutic and diagnostic dendrimer based modular platforms (e.g., drug delivery platforms). In particular, the dendrimer based modular platforms are configured such that two or more dendrimers (e.g., PAMAM dendrimers) are coupled together (e.g., via a cycloaddition reaction) wherein each of the coupled dendrimers is functionalized (e.g., functionalized for targeting, imaging, sensing, and/or providing a therapeutic or diagnostic material and/or monitoring response to therapy). In some embodiments, the present invention provides dendrimer based modular platforms having coupled dendrimers (e.g., two or more coupled dendrimers) wherein each dendrimer is conjugated to one or more functional groups (e.g., therapeutic agent, imaging agent, targeting agent, triggering agent) (e.g., for specific targeting and/or therapeutic use of the dendrimer based modular platform). In some embodiments, the functional groups are conjugated to the dendrimers via a linker and/or a triggering agent. In addition, the present invention is directed to methods of synthesizing dendrimer based modular platforms, compositions comprising the dendrimer based modular platforms, as well as systems and methods utilizing the dendrimer based modular platforms (e.g., in diagnostic and/or therapeutic settings (e.g., for the delivery of therapeutics, imaging, and/or targeting agents (e.g., in disease (e.g., cancer) diagnosis and/or therapy, etc.)).

  本发明涉及一种新颖的治疗和诊断树状分子模块化平台（例如，药物输送平台）。具体而言，这些树状分子模块化平台被配置为将两个或更多的树状分子（例如，PAMAM树状分子）耦合在一起（例如，通过环加成反应），其中每个耦合的树状分子被功能化（例如，用于定位、成像、感应和/或提供治疗或诊断材料和/或监测治疗反应）。在某些实施例中，本发明提供了具有耦合树状分子（例如，两个或更多个耦合树状分子）的树状分子模块化平台，其中每个树状分子被结合到一个或多个功能基团（例如，治疗剂、成像剂、定位剂、触发剂）（例如，用于特定的定位和/或治疗使用的树状分子模块化平台）。在某些实施例中，功能基团通过连接剂和/或触发剂与树状分子结合。此外，本发明还涉及合成树状分子模块化平台的方法、包含树状分子模块化平台的组合物，以及利用树状分子模块化平台的系统和方法（例如，在诊断和/或治疗设置中（例如，用于输送治疗剂、成像和/或定位剂（例如，在疾病（例如，癌症）诊断和/或治疗等方面））。
• SYNTHESIS AND ISOLATION OF DENDRIMER SYSTEMS
  申请人：Baker, JR. James R.

  公开号：US20120232225A1

  公开（公告）日：2012-09-13

  The present invention relates to novel methods of synthesis and isolation of dendrimer systems. In particular, the present invention is directed to novel dendrimer conjugates with defined and limited numbers of ligand conjugates and high levels of structural uniformity, methods of synthesizing the same, compositions comprising the conjugates, as well systems and methods utilizing the conjugates (e.g., in diagnostic and/or therapeutic settings (e.g., for the delivery of therapeutics, imaging, and/or targeting agents (e.g., in disease (e.g., cancer) diagnosis and/or therapy, pain therapy, etc.)).

  本发明涉及一种合成和分离树状分子系统的新方法。具体而言，本发明涉及具有定义和有限配体结合数以及高度结构均匀性的新型树状分子共轭物，其合成方法，包含该共轭物的组合物，以及利用该共轭物的系统和方法（例如，在诊断和/或治疗环境中使用，例如用于传递治疗剂、成像和/或靶向剂（例如在疾病（例如癌症）诊断和/或治疗、疼痛治疗等方面））。
• [EN] DENDRIMER BASED MODULAR PLATFORMS<br/>[FR] PLATEFORMES MODULAIRES À BASE DE DENDRIMÈRE
  申请人：UNIV MICHIGAN

  公开号：WO2010075423A2

  公开（公告）日：2010-07-01

  The present invention relates to novel therapeutic and diagnostic dendrimer based modular platforms (e.g., drug delivery platforms). In particular, the dendrimer based modular platforms are configured such that two or more dendrimers (e.g., PAMAM dendrimers) are coupled together (e.g., via a cycloaddition reaction) wherein each of the coupled dendrimers is functionalized (e.g., functionalized for targeting, imaging, sensing, and/or providing a therapeutic or diagnostic material and/or monitoring response to therapy). In some embodiments, the present invention provides dendrimer based modular platforms having coupled dendrimers (e.g., two or more coupled dendrimers) wherein each dendrimer is conjugated to one or more functional groups (e.g., therapeutic agent, imaging agent, targeting agent, triggering agent) (e.g., for specific targeting and/or therapeutic use of the dendrimer based modular platform). In some embodiments, the functional groups are conjugated to the dendrimers via a linker and/or a triggering agent. In addition, the present invention is directed to methods of synthesizing dendrimer based modular platforms, compositions comprising the dendrimer based modular platforms, as well as systems and methods utilizing the dendrimer based modular platforms (e.g., in diagnostic and/or therapeutic settings (e.g., for the delivery of therapeutics, imaging, and/or targeting agents (e.g., in disease (e.g., cancer) diagnosis and/or therapy, etc.)).
• [EN] SYNTHESIS AND ISOLATION OF DENDRIMER SYSTEMS<br/>[FR] SYNTHÈSE ET ISOLEMENT DE SYSTÈMES DENDRIMÈRES
  申请人：UNIV MICHIGAN

  公开号：WO2011028334A2

  公开（公告）日：2011-03-10

  The present invention relates to novel methods of synthesis and isolation of dendrimer systems. In particular, the present invention is directed to novel dendrimer conjugates with defined and limited numbers of ligand conjugates and high levels of structural uniformity, methods of synthesizing the same, compositions comprising the conjugates, as well as systems and methods utilizing the conjugates (e.g., in diagnostic and/or therapeutic settings (e.g., for the delivery of therapeutics, imaging, and/or targeting agents (e.g., in disease (e.g., cancer) diagnosis and/or therapy, pain therapy, etc.)).