gadolinium(III) (4-(3-[2-[bis(pyridin-2-ylmethyl)amino]-3-methylphenoxy]propyl)-7,10-bis(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl)acetic acid | 1085268-55-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: gadolinium(III) (4-(3-[2-[bis(pyridin-2-ylmethyl)amino]-3-methylphenoxy]propyl)-7,10-bis(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl)acetic acid
• CAS: 1085268-55-8
• 化学式: C₃₆H₄₆GdN₇O₇
• 分子量: 846.054
• InChiKey: UGXPUHLVDYVTMW-UHFFFAOYSA-K

反应信息

• 作为产物：
  描述：

  gadolinium(III) chloride hexahydrate 、 (4-(3-[2-[bis(pyridin-2-ylmethyl)amino]-3-methylphenoxy]propyl)-7,10-bis[(tert-butoxycarbonyl)methyl]-1,4,7,10-tetraazacyclododec-1-yl)acetic acid tert-butyl ester 在 sodium hydroxide 、 三氟乙酸 作用下， 以 水 、 三氟乙酸 为溶剂， 生成 gadolinium(III) (4-(3-[2-[bis(pyridin-2-ylmethyl)amino]-3-methylphenoxy]propyl)-7,10-bis(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl)acetic acid
  参考文献：
  名称：

  Mechanisms of Zn^II-Activated Magnetic Resonance Imaging Agents

  摘要：

  We report on the mechanism of a series of Zn-II-activated magnetic resonance contrast agents that modulate the access of water to a paramagnetic Gd-III ion to create an increase in relaxivity upon binding of Zn-II, In the absence and presence of Zn-II, the coordination at the Gd-III center is modulated by appended Zn-II binding groups. These groups were systematically varied to optimize the change in coordination upon Zn-II binding. We observe that at least one appended aminoacetate must be present as a coordinating group to bind Gd-III and effectively inhibit access of water. At least two binding groups are required to efficiently bind Zn-II, creating an unsaturated complex and allowing access of water. C-13 isotopic labeling of the acetate binding groups for NMR spectroscopy provides evidence of a change in the metal coordination of these groups upon the addition of Zn-II supporting our proposed mechanism of activation as presented.

  DOI：

  10.1021/ic801458u