3-[2-[bis[3-[2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylimino]-3-hydroxypropyl]amino]ethyl-[3-[2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylimino]-3-hydroxypropyl]amino]-N-[2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]propanimidic acid | 726203-70-9

• 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-[2-[bis[3-[2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylimino]-3-hydroxypropyl]amino]ethyl-[3-[2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylimino]-3-hydroxypropyl]amino]-N-[2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]propanimidic acid
• CAS: 726203-70-9
• 化学式: C₇₀H₆₀Br₄N₁₀O₁₂
• 分子量: 1552.92
• InChiKey: HWKLHZSXBOXDHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  96
• 可旋转键数：
  27
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  286
• 氢给体数：
  4
• 氢受体数：
  18

反应信息

• 作为产物：
  描述：

  4-溴-1,8-萘二甲酸酐 、 树状大分子的聚酰胺基胺 以 甲醇 为溶剂， 反应 6.0h， 以78%的产率得到3-[2-[bis[3-[2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylimino]-3-hydroxypropyl]amino]ethyl-[3-[2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylimino]-3-hydroxypropyl]amino]-N-[2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]propanimidic acid
  参考文献：
  名称：

  An iron(III) selective dendrite chelator based on polyamidoamine dendrimer modified with 4-bromo-1,8-naphthalimide

  摘要：

  A new 4-bromo-1,8-naphthalimide-labelled polyamidoamine (PAMAM) dendrimer from zero generation has been synthesised and characterised. Its functional characteristics, determined in acetonitrile solvent are discussed. The ability of the dendrimer to detect metal cations has been evaluated in acetonitrile by monitoring the quenching of the fluorescence intensity. Different metal cations have been tested Co2+, Ni2+, Cu2+ and Fe3+ for the purpose. The results have shown clearly that only Fe3+ could be efficiently detected using the dendrimer. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2007.03.014

文献信息

• An iron(III) selective dendrite chelator based on polyamidoamine dendrimer modified with 4-bromo-1,8-naphthalimide
  作者：Ivo Grabchev、Jean-Marc Chovelon、Christo Petkov

  DOI：10.1016/j.saa.2007.03.014

  日期：2008.1

  A new 4-bromo-1,8-naphthalimide-labelled polyamidoamine (PAMAM) dendrimer from zero generation has been synthesised and characterised. Its functional characteristics, determined in acetonitrile solvent are discussed. The ability of the dendrimer to detect metal cations has been evaluated in acetonitrile by monitoring the quenching of the fluorescence intensity. Different metal cations have been tested Co2+, Ni2+, Cu2+ and Fe3+ for the purpose. The results have shown clearly that only Fe3+ could be efficiently detected using the dendrimer. (c) 2007 Elsevier B.V. All rights reserved.