2-[4,7-Bis(carboxymethyl)-10-(pyridin-4-ylmethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid | 1010690-22-8

• 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: 2-[4,7-Bis(carboxymethyl)-10-(pyridin-4-ylmethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
• 英文别名: 2-[4,7-bis(carboxymethyl)-10-(pyridin-4-ylmethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
• CAS: 1010690-22-8
• 化学式: C₂₀H₃₁N₅O₆
• 分子量: 437.496
• InChiKey: AKSZEIOLVKVSGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -7.5
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  138
• 氢给体数：
  3
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  2-[4,7-Bis(carboxymethyl)-10-(pyridin-4-ylmethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid 、 ytterbium(III) triflate 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and Spectroscopic Properties of a Prototype Single Molecule Dual Imaging Agent Comprising a Heterobimetallic Rhenium−Gadolinium Complex

  摘要：

  A luminescent d-f hybrid containing a [Re(bpy)(Ar)(CO)(3)](+) chromophore and a gadolinium ion bound in a DO3A-derived binding pocket has been prepared. This complex combines long-lived luminescence from the (3)MLCT state of the transition metal chromophore with high relaxivity, making it suitable for MRI imaging and luminescence imaging. The analogous complex containing ytterbium exhibits sensitized emission from both the ytterbium center and long-lived emission from the (3)MLCT state.

  DOI：

  10.1021/ja710859p

文献信息

• Synthesis and Spectroscopic Properties of a Prototype Single Molecule Dual Imaging Agent Comprising a Heterobimetallic Rhenium−Gadolinium Complex
  作者：Thelma Koullourou、Louise S. Natrajan、Hiren Bhavsar、Pope、Jianghua Feng、Johanna Narvainen、Rachel Shaw、Emma Scales、Risto Kauppinen、Alan M. Kenwright、Stephen Faulkner

  DOI：10.1021/ja710859p

  日期：2008.2.1

  A luminescent d-f hybrid containing a [Re(bpy)(Ar)(CO)(3)](+) chromophore and a gadolinium ion bound in a DO3A-derived binding pocket has been prepared. This complex combines long-lived luminescence from the (3)MLCT state of the transition metal chromophore with high relaxivity, making it suitable for MRI imaging and luminescence imaging. The analogous complex containing ytterbium exhibits sensitized emission from both the ytterbium center and long-lived emission from the (3)MLCT state.