3,3',3'',3'''-((((3,3'-((2-((7-oxo-7H-benzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-3-yl)amino)ethyl)azanediyl)bis(propanoyl))bis(azanediyl))bis(ethane-2,1-diyl))bis(azanetriyl))tetrakis(N-(2-aminoethyl)propanamide) | 1450820-35-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 3,3',3'',3'''-((((3,3'-((2-((7-oxo-7H-benzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-3-yl)amino)ethyl)azanediyl)bis(propanoyl))bis(azanediyl))bis(ethane-2,1-diyl))bis(azanetriyl))tetrakis(N-(2-aminoethyl)propanamide)
• CAS: 1450820-35-5
• 化学式: C₅₀H₇₆N₁₆O₇
• 分子量: 1013.26
• InChiKey: VDNJUUQFOZPNIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.22
• 重原子数：
  73.0
• 可旋转键数：
  36.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  334.8
• 氢给体数：
  11.0
• 氢受体数：
  17.0

反应信息

• 作为反应物：
  描述：

  3,3',3'',3'''-((((3,3'-((2-((7-oxo-7H-benzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-3-yl)amino)ethyl)azanediyl)bis(propanoyl))bis(azanediyl))bis(ethane-2,1-diyl))bis(azanetriyl))tetrakis(N-(2-aminoethyl)propanamide) 、 丙烯酸甲酯（MA） 以 甲醇 为溶剂， 反应 48.0h， 以76%的产率得到Methyl 3-[2-[3-[2-[3-[[3-[2-[bis[3-[2-[bis(3-methoxy-3-oxopropyl)amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[2-[(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-17-yl)amino]ethyl]amino]propanoylamino]ethyl-[3-[2-[bis(3-methoxy-3-oxopropyl)amino]ethylamino]-3-oxopropyl]amino]propanoylamino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
  参考文献：
  名称：

  The synthesis and study of fluorescent PAMAM-based dendritic molecules

  摘要：

  New water soluble and fluorescent PAMAM-based dendritic molecules based on the naphthalimide derivative 7H-benz[de]benzimidazo[2,1-a]isoquinoline-7-one as the fluorescent unit, have been prepared and their photophysical properties studied in aqueous solution over a wide pH range. The dendrons are all strongly fluorescent through an intramolecular charge transfer (ICT) excited state, but this can be modulated by photoinduced electron transfer (PeT) processes, which increases with higher PAMAM dendron generation. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.07.054
• 作为产物：
  描述：

  Methyl 3-[2-[3-[[3-[2-[bis(3-methoxy-3-oxopropyl)amino]ethylamino]-3-oxopropyl]-[2-[(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-17-yl)amino]ethyl]amino]propanoylamino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate 、 乙二胺 以 甲醇 为溶剂， 反应 120.5h， 以56%的产率得到3,3',3'',3'''-((((3,3'-((2-((7-oxo-7H-benzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-3-yl)amino)ethyl)azanediyl)bis(propanoyl))bis(azanediyl))bis(ethane-2,1-diyl))bis(azanetriyl))tetrakis(N-(2-aminoethyl)propanamide)
  参考文献：
  名称：

  The synthesis and study of fluorescent PAMAM-based dendritic molecules

  摘要：

  New water soluble and fluorescent PAMAM-based dendritic molecules based on the naphthalimide derivative 7H-benz[de]benzimidazo[2,1-a]isoquinoline-7-one as the fluorescent unit, have been prepared and their photophysical properties studied in aqueous solution over a wide pH range. The dendrons are all strongly fluorescent through an intramolecular charge transfer (ICT) excited state, but this can be modulated by photoinduced electron transfer (PeT) processes, which increases with higher PAMAM dendron generation. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.07.054