2,5-dioxopyrrolidin-1-yl-4-((tert-butoxycarbonyl)(2-((tert-butoxycarbonyl)amino)ethyl)amino)-3-(((tert-butoxycarbonyl)(2-((tert-butoxycarbonyl)amino)ethyl)amino)methyl)butanoate | 874196-40-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 2,5-dioxopyrrolidin-1-yl-4-((tert-butoxycarbonyl)(2-((tert-butoxycarbonyl)amino)ethyl)amino)-3-(((tert-butoxycarbonyl)(2-((tert-butoxycarbonyl)amino)ethyl)amino)methyl)butanoate
• 英文别名: 2,5-Dioxopyrrolidin-1-yl 4-((tert-butoxycarbonyl)(2-((tert-butoxycarbonyl)amino)ethyl)amino)-3-(((tert-butoxycarbonyl)(2-((tert-butoxycarbonyl)amino)ethyl)amino)methyl)butanoate；(2,5-dioxopyrrolidin-1-yl) 4-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-3-[[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]methyl]butanoate
• CAS: 874196-40-4
• 化学式: C₃₃H₅₇N₅O₁₂
• 分子量: 715.842
• InChiKey: UTDQDZSLFMLGCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  50
• 可旋转键数：
  22
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  199
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  2,5-dioxopyrrolidin-1-yl-4-((tert-butoxycarbonyl)(2-((tert-butoxycarbonyl)amino)ethyl)amino)-3-(((tert-butoxycarbonyl)(2-((tert-butoxycarbonyl)amino)ethyl)amino)methyl)butanoate 在 N-甲基吗啉 、 盐酸 、 四甲基胍 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 2.0h， 生成 6-(4-((2-aminoethyl)amino)-3-(((2-aminoethyl)amino)methyl)butanamido)-N-(2-oxo-2-((2R)-2-((3aS, 4S, 6S)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)pyrrolidin-1-yl)ethyl)hexanamide
  参考文献：
  名称：

  WO2014/1538

  摘要：

  公开号：

文献信息

• IMAGING FIBROSIS
  申请人：GE Healthcare Limited

  公开号：US20150320892A1

  公开（公告）日：2015-11-12

  The present invention provides a labelled compound suitable for use as an in vivo imaging agent. The in vivo imaging agent of the invention is useful in the in vivo diagnosis and imaging of fibrosis and in particular fibrosis in the liver. Also provided by the present invention is a method for the preparation of the labelled compound of the invention and a precursor compound useful in said method and a kit useful for carrying out said method. In addition, the present invention provides a pharmaceutical composition comprising the labelled compound of the invention as well as a method of in vivo imaging using the labelled compound of the invention, preferably as the pharmaceutical composition of the invention.

  本发明提供了一种适用于体内成像剂的标记化合物。本发明的体内成像剂对于纤维化的诊断和成像，特别是肝脏纤维化的体内成像非常有用。本发明还提供了一种制备所述标记化合物的方法，以及一种在该方法中有用的前体化合物和一种用于执行该方法的工具包。此外，本发明还提供了包括所述标记化合物的制药组合物，以及使用所述标记化合物的体内成像方法，最好作为本发明的制药组合物。
• WO2007/138291
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] IMAGING FIBROSIS<br/>[FR] IMAGERIE DE FIBROSE
  申请人：GE HEALTHCARE LTD

  公开号：WO2014001538A1

  公开（公告）日：2014-01-03

  The present invention provides a labelled compound suitable for use as an in vivo imaging agent. The in vivo imaging agent of the invention is useful in the in vivo diagnosis and imaging of fibrosis and in particular fibrosis in the liver. Also provided by the present invention is a method for the preparation of the labelled compound of the invention and a precursor compound useful in said method and a kit useful for carrying out said method. In addition, the present invention provides a pharmaceutical composition comprising the labelled compound of the invention as well as a method of in vivo imaging using the labelled compound of the invention, preferably as the pharmaceutical composition of the invention.