diethylenetriamine pentaacetic acid bi(4'-acrylate) | 1364514-50-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: diethylenetriamine pentaacetic acid bi(4'-acrylate)
• 英文别名: 2-[Bis[2-[carboxymethyl-[2-oxo-2-(prop-2-enoylamino)ethyl]amino]ethyl]amino]acetic acid；2-[bis[2-[carboxymethyl-[2-oxo-2-(prop-2-enoylamino)ethyl]amino]ethyl]amino]acetic acid
• CAS: 1364514-50-0
• 化学式: C₂₀H₂₉N₅O₁₀
• 分子量: 499.478
• InChiKey: KEJJNHDXUWKKQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -8.3
• 重原子数：
  35
• 可旋转键数：
  18
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  214
• 氢给体数：
  5
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  gadolinium(III) nitrate hexahydrate 、 diethylenetriamine pentaacetic acid bi(4'-acrylate) 以 水 为溶剂， 生成 Gd(H2O)(diethylenetriamine pentaacetic acid bi(4'-acrylate))
  参考文献：
  名称：

  Lanthanide (Eu3+, Tb3+, Gd3+) hybrid system with functionalized diethylenetriamine pentaacetic acid: coordination bonding assembly, luminescence and MRI contrast agent property

  摘要：

  A bridge molecule (abbreviated as DTPA-AM. DTPA-bi(4'-acrylamide)) orignated from the diethylenetriamine pentaacetic acid (DTPA) derivative (DTPAA, diethylene-triaminepentaacetic anhydride) after the modification by acrylamide though its amino group group. Subsequently, the lanthanide (Eu3+, Tb3+, Gd3+) polymer hybrid material systems have been assembled with coordination bonds, which present luminescence for Eu3+, Tb3+ system and MRI (magnetic resonance imaging) contrast agent property for Gd3+ system, respectively. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2012.01.005
• 作为产物：
  描述：

  二亚乙基三胺五乙酸二酐 、 丙烯酰胺 以 N,N-二甲基甲酰胺 为溶剂， 以83%的产率得到diethylenetriamine pentaacetic acid bi(4'-acrylate)
  参考文献：
  名称：

  Lanthanide (Eu3+, Tb3+, Gd3+) hybrid system with functionalized diethylenetriamine pentaacetic acid: coordination bonding assembly, luminescence and MRI contrast agent property

  摘要：

  A bridge molecule (abbreviated as DTPA-AM. DTPA-bi(4'-acrylamide)) orignated from the diethylenetriamine pentaacetic acid (DTPA) derivative (DTPAA, diethylene-triaminepentaacetic anhydride) after the modification by acrylamide though its amino group group. Subsequently, the lanthanide (Eu3+, Tb3+, Gd3+) polymer hybrid material systems have been assembled with coordination bonds, which present luminescence for Eu3+, Tb3+ system and MRI (magnetic resonance imaging) contrast agent property for Gd3+ system, respectively. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2012.01.005

文献信息

• Lanthanide (Eu3+, Tb3+, Gd3+) hybrid system with functionalized diethylenetriamine pentaacetic acid: coordination bonding assembly, luminescence and MRI contrast agent property
  作者：Bing Yan、Chao Sheng、Lei Guo

  DOI：10.1016/j.inoche.2012.01.005

  日期：2012.4

  A bridge molecule (abbreviated as DTPA-AM. DTPA-bi(4'-acrylamide)) orignated from the diethylenetriamine pentaacetic acid (DTPA) derivative (DTPAA, diethylene-triaminepentaacetic anhydride) after the modification by acrylamide though its amino group group. Subsequently, the lanthanide (Eu3+, Tb3+, Gd3+) polymer hybrid material systems have been assembled with coordination bonds, which present luminescence for Eu3+, Tb3+ system and MRI (magnetic resonance imaging) contrast agent property for Gd3+ system, respectively. (C) 2012 Elsevier B.V. All rights reserved.