[bis-(2-{[(2-carboxy-(benzo-15-crown-5)-ethylcarbamoyl)-methyl]-carboxymethylamino}-ethyl)-amino]-acetic acid | 909804-23-5

• 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: [bis-(2-{[(2-carboxy-(benzo-15-crown-5)-ethylcarbamoyl)-methyl]-carboxymethylamino}-ethyl)-amino]-acetic acid
• 英文别名: 2-[Bis[2-[carboxymethyl-[2-oxo-2-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carbonyloxy)ethylamino]ethyl]amino]ethyl]amino]acetic acid
• CAS: 909804-23-5
• 化学式: C₄₈H₆₉N₅O₂₂
• 分子量: 1068.1
• InChiKey: XJRXIPGADREYJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -7.4
• 重原子数：
  75
• 可旋转键数：
  26
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  325
• 氢给体数：
  5
• 氢受体数：
  25

反应信息

• 作为反应物：
  描述：

  [bis-(2-{[(2-carboxy-(benzo-15-crown-5)-ethylcarbamoyl)-methyl]-carboxymethylamino}-ethyl)-amino]-acetic acid 在 sodium hydroxide 、 gadolinium(III) chloride 作用下， 以 水 为溶剂， 以95.8%的产率得到[bis-(2-{[(2-carboxy-(benzo-15-crown-5)-ethylcarbamoyl)-methyl]-carboxymethylamino}-ethyl)-amino]-acetic acid gadolinium complex
  参考文献：
  名称：

  EP1864968

  摘要：

  公开号：
• 作为产物：
  描述：

  DTPA-anhydride 、 (15-crown-5)-4-benzoic acid 2-aminoethyl ester 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 [bis-(2-{[(2-carboxy-(benzo-15-crown-5)-ethylcarbamoyl)-methyl]-carboxymethylamino}-ethyl)-amino]-acetic acid
  参考文献：
  名称：

  EP1864968

  摘要：

  公开号：

文献信息

• COMPLEX COMPOUND AND MRI PROBE MADE OF SAME
  申请人：Japan Science and Technology Agency

  公开号：EP1864968A1

  公开（公告）日：2007-12-12

  Novel gadolinium complex compounds responsive to ions and compounds other than zinc ion, as well as MRI probes made of the compounds are disclosed. Since the gadolinium complex compounds of the present invention such as that represented by the following structural formula exhibit responsiveness to potassium ion, calcium ion, glucose or the like, by using the gadolinium complex compounds of the present invention as a MRI probe, the ion or compound in a living body can be detected and concentration distribution thereof may be determined.

  本发明公开了对锌离子以外的离子和化合物有反应的新型钆络合物，以及由该化合物制成的磁共振成像探针。由于本发明的钆络合物（例如由以下结构式表示的化合物）对钾离子、钙离子、葡萄糖或类似物具有响应性，因此使用本发明的钆络合物作为磁共振成像探针，可以检测活体内的离子或化合物，并确定其浓度分布。
• Complex Compound and MRI Probe Made of Same
  申请人：Suzuki Koji

  公开号：US20110165089A1

  公开（公告）日：2011-07-07

  Novel gadolinium complex compounds responsive to ions and compounds other than zinc ion, as well as MRI probes made of the compounds are disclosed. Since the gadolinium complex compounds of the present invention such as that represented by the following structural formula exhibit responsiveness to potassium ion, calcium ion, glucose or the like, by using the gadolinium complex compounds of the present invention as a MRI probe, the ion or compound in a living body can be detected and concentration distribution thereof may be determined.
• US8460636B2
  申请人：——

  公开号：US8460636B2

  公开（公告）日：2013-06-11
• EP1864968
  申请人：——

  公开号：——

  公开（公告）日：——