6-[bis[2-[(1,1-dimethyl)ethoxy]-2-oxoethyl]amino]-6-[5-(dioctylamino)-5-oxopent-1-yl]tetrahydro-1H-1,4-diazepine-1,4(5H)-diacetic acid bis[(1,1-dimethylethyl)] ester | 1456626-00-8

• 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[2-[(1,1-dimethyl)ethoxy]-2-oxoethyl]amino]-6-[5-(dioctylamino)-5-oxopent-1-yl]tetrahydro-1H-1,4-diazepine-1,4(5H)-diacetic acid bis[(1,1-dimethylethyl)] ester
• 英文别名: Tert-butyl 2-[6-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-6-[5-(dioctylamino)-5-oxopentyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4-diazepan-1-yl]acetate
• CAS: 1456626-00-8
• 化学式: C₅₀H₉₄N₄O₉
• 分子量: 895.318
• InChiKey: CXJJOIGYYRCUGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11
• 重原子数：
  63
• 可旋转键数：
  36
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  135
• 氢给体数：
  0
• 氢受体数：
  12

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。
• [EN] A NEW CLASS OF DIAZEPINE DERIVATIVE CHELATING AGENTS AND COMPLEXES WITH PARAMAGNETIC METALS THEREOF AS MRI CONTRAST AGENTS<br/>[FR] NOUVELLE CLASSE DE DÉRIVÉS DE DIAZÉPINE EN TANT QU'AGENTS DE CHÉLATION ET COMPLEXES AVEC DES MÉTAUX PARAMAGNÉTIQUES ASSOCIÉS EN TANT QU'AGENTS DE CONTRASTE POUR IRM
  申请人：BRACCO IMAGING SPA

  公开号：WO2013135750A1

  公开（公告）日：2013-09-19

  The present invention relates to a new class of diazepine-derivatives as chel ating agents for paramag netic 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具有螯合作用的试剂，以及其制备过程，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。
• A 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：EP2834222A1

  公开（公告）日：2015-02-11
• 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