N1,N3,N5-tris(3'-(3,4,5-tris((17-amino-3,6,9,12,15-pentaoxaheptadecyl)oxy)benzamido)-[2,2'-bipyridin]-3-yl)benzene-1,3,5-tricarboxamide | 1375353-44-8

• 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: N1,N3,N5-tris(3'-(3,4,5-tris((17-amino-3,6,9,12,15-pentaoxaheptadecyl)oxy)benzamido)-[2,2'-bipyridin]-3-yl)benzene-1,3,5-tricarboxamide
• CAS: 1375353-44-8
• 化学式: C₁₆₈H₂₆₇N₂₁O₆₀
• 分子量: 3541.07
• InChiKey: IJCGXDMKQLMNAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.36
• 重原子数：
  249.0
• 可旋转键数：
  177.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  984.54
• 氢给体数：
  15.0
• 氢受体数：
  75.0

反应信息

• 作为产物：
  描述：

  di-tert-butyl (((5-((3'-amino-[2,2'-bipyridin]-3-yl)carbamoyl)-2-((2,2-dimethyl-4-oxo-3,8,11,14,17,20-hexaoxa-5-azadocosan-22-yl)oxy)-1,3-phenylene)bis(oxy))bis(3,6,9,12,15-pentaoxaheptadecane-17,1-diyl))dicarbamate 、 1,3,5-苯三甲酰氯 在 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以13.3 mg的产率得到N1,N3,N5-tris(3'-(3,4,5-tris((17-amino-3,6,9,12,15-pentaoxaheptadecyl)oxy)benzamido)-[2,2'-bipyridin]-3-yl)benzene-1,3,5-tricarboxamide
  参考文献：
  名称：

  Supramolecular Polymers as Dynamic Multicomponent Cellular Uptake Carriers

  摘要：

  Supramolecular synthesis represents a flexible approach to the generation of dynamic multicomponent materials with tunable properties. Here, cellular uptake systems based on dynamic supramolecular copolymers have been developed using a combination of differently functionalized discotic molecules. Discotics featuring peripheral amine functionalities that endow the supramolecular polymer with cellular uptake capabilities were readily synthesized. This enabled the uptake of otherwise cell-impermeable discotics via cotransport as a function of supramolecular coassembly. Dynamic multicomponent and multifunctional supramolecular polymers represent a novel and unique platform for modular cellular uptake systems.

  DOI：

  10.1021/ja3029075