6-[bis(carboxymethyl)amino]-6-[(1R,4R)-4-[(dioctylamino)-carbonyl]cyclohexane-1-yl]tetrahydro-1H-1,4-diazepine-1,4(5H)-diacetic acid | 1456626-26-8

• 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: 6-[bis(carboxymethyl)amino]-6-[(1R,4R)-4-[(dioctylamino)-carbonyl]cyclohexane-1-yl]tetrahydro-1H-1,4-diazepine-1,4(5H)-diacetic acid
• CAS: 1456626-26-8
• 化学式: C₃₆H₆₄N₄O₉
• 分子量: 696.926
• InChiKey: HEVGGBAWUZBWPL-WXUXXXNLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.34
• 重原子数：
  49.0
• 可旋转键数：
  25.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  179.23
• 氢给体数：
  4.0
• 氢受体数：
  8.0

文献信息

• A new class of diazepine derivative chelating agents and complexes with paramagnetic metals as MRI contrast agents
  申请人：Bracco Imaging S.p.A

  公开号：EP2639227A1

  公开（公告）日：2013-09-18

  The present invention relates to a new class of diazepine-derivatives as chelating agents for paramagnetic metal ions, the process for their preparation, and use of such paramagnetic complexes as contrast agents, particularly suitable for Magnetic Resonance Imaging (MRI) analysis.

  本发明涉及一种新型的二氮杂环庚烷衍生物作为对顺磁金属离子的螯合剂，其制备方法以及将这种顺磁复合物作为对比剂的用途，特别适用于磁共振成像（MRI）分析。
• New Class Of Diazepine Derivative Chelating Agents And Complexes With Paramagnetic Metals Thereof As MRI Contrast Agents
  申请人：BRACCO IMAGING S.P.A

  公开号：US20150037261A1

  公开（公告）日：2015-02-05

  The present invention relates to a new class of diazepine-derivatives as chelating agents for paramagnetic metal ions, the process for their preparation, and use of such paramagnetic complexes as contrast agents, particularly suitable for Magnetic Resonance Imaging (MRI) analysis.

  本发明涉及一种新型的二氮杂环衍生物作为顺磁性金属离子螯合剂，其制备过程以及使用这种顺磁性金属离子复合物作为对比剂，特别适用于磁共振成像（MRI）分析。
• DIAZEPINE DERIVATIVE CHELATING AGENTS AND COMPLEXES WITH PARAMAGNETIC METALS THEREOF AS MRI CONTRAST AGENTS
  申请人：Bracco Imaging S.p.A

  公开号：EP2834222B1

  公开（公告）日：2016-03-09
• US9259491B2
  申请人：——

  公开号：US9259491B2

  公开（公告）日：2016-02-16