N,N'-[(Phosphonomethylimino)di-2,1-ethanediyl]bis[N-(phosphonomethyl)-glycine] | 52820-08-3

• 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: N,N'-[(Phosphonomethylimino)di-2,1-ethanediyl]bis[N-(phosphonomethyl)-glycine]
• 英文别名: 2-[2-[2-[Carboxymethyl(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]acetic acid
• CAS: 52820-08-3
• 化学式: C₁₁H₂₆N₃O₁₃P₃
• 分子量: 501.261
• InChiKey: GZCQSXPKMHYDBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -12.5
• 重原子数：
  30
• 可旋转键数：
  16
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  257
• 氢给体数：
  8
• 氢受体数：
  16

文献信息

• CHELATING COMPOUNDS, THEIR COMPLEXES WITH PARAMAGNETIC METALS
  申请人：——

  公开号：US20030013859A1

  公开（公告）日：2003-01-16

  Compounds able to chelate bi- and trivalent paramagnetic metal ions, their chelated complexes with said metal ions and the physiologically compatible salts thereof, as well as the use thereof as contrast agents in the technique known as “Magnetic Resonance Imaging” (M.R.I.).

  能够螯合双价和三价顺磁性金属离子的化合物，所述金属离子的螯合配合物以及生理上相容的盐，以及它们在“磁共振成像”(M.R.I.)技术中作为对比剂的使用。
• New agents for magnetic imaging method
  申请人：Bracco Imaging S.p.A.

  公开号：EP1369134A1

  公开（公告）日：2003-12-10

  The invention provides MRI detectable species of formula (I)         Dp-Sn-Nm     (I) wherein D is a MRI detectable moiety    S is a spacer    N is a molecule of a nutrient or pseudo-nutrient    n is 0 or an integer    m is an integer and    p is an integer. These compounds are useful for internalising into tumor cells an amount of the MRI detectable moiety that is distinguishably higher than the amount internalised in normal healthy cells thus allowing the diagnosis of tumors. Preferred compounds of formula (I) are those wherein D is the chelated complex of a paramagnetic metal ion. In this case when the paramagnetic metal ion is a neutron capture isotope, e.g. 157Gd, the new compounds can also be used for the treatment of the tumor, by selective irradiation of the tumor mass.

  该发明提供了一种具有以下式（I）的MRI可检测物种： Dp-Sn-Nm（I） 其中D是MRI可检测的基团 S是一个间隔物 N是一种营养物质或伪营养物质的分子 n为0或整数 m为整数 p为整数 这些化合物对于将MRI可检测的基团内化到肿瘤细胞中的数量高于内化到正常健康细胞中的数量是有用的，从而实现肿瘤的诊断。首选的式（I）化合物是D为顺磁金属离子的螯合络合物。在这种情况下，当顺磁金属离子是中子俘获同位素时，例如157Gd，这些新化合物也可以用于通过选择性照射肿瘤组织来治疗肿瘤。
• Diagnostic compounds for targeting a chemokine receptors
  申请人：Port Marc

  公开号：US20090202435A1

  公开（公告）日：2009-08-13

  The present invention relates to a compound comprising, firstly a component for targeting at least one chemokine receptor and, secondly, a detection component capable of being identified by a medical imaging method.

  本发明涉及一种化合物，包括第一部分用于靶向至少一种趋化因子受体的组分和第二部分是一种检测组分，能够通过医学成像方法被鉴定。
• Compounds Comprising a Biological Target Recognizing Part, Coupled to a Signal Part Capable of Complexing Gallium
  申请人：Port Marc

  公开号：US20110092806A1

  公开（公告）日：2011-04-21

  The invention concerns compounds comprising a biological target recognizing part, coupled to a signal part capable of complexing gallium. The invention also concerns methods for obtaining said compounds, screening methods capable of selecting such compounds for chemical synthesis thereof and their diagnostic applications, in particular in PET, PET/IRM, PET CT imaging.

  本发明涉及化合物，包括生物靶标识别部分和能够与镓形成配合物的信号部分。本发明还涉及获得这些化合物的方法，筛选方法能够选择这些化合物进行化学合成以及它们的诊断应用，特别是在PET、PET/IRM、PET CT成像中。
• Agents For Magnetic Imaging Method
  申请人：AIME Silvio

  公开号：US20100311962A1

  公开（公告）日：2010-12-09

  The invention provides MRI detectable species of formula (I) D p -S n -N m (I) wherein D is a MRI detectable moiety S is a spacer N is a molecule of a nutrient or pseudo-nutrient n is 0 or an integer m is an integer and p is an integer. These compounds are useful for internalising into tumor cells an amount of the MRI detectable moiety that is distinguishably higher than the amount internalised in normal healthy cells thus allowing the diagnosis of tumors. The internalisation of the MRI detectable moiety involves the nutrients or pseudo-nutrients transporting system. Preferred compounds of formula (I) are those wherein D is the chelated complex of a paramagnetic metal ion.

  该发明提供了公式（I）Dp-Sn-Nm（I）的MRI可检测物种，其中D是MRI可检测的基团，S是一个间隔物，N是一种营养物质或伪营养物质的分子，n为0或整数，m为整数，p为整数。这些化合物对于将MRI可检测基团内化到肿瘤细胞中的数量大于内化到正常健康细胞中的数量非常有用，从而允许诊断肿瘤。MRI可检测基团的内化涉及营养物质或伪营养物质的运输系统。公式（I）的首选化合物是D为顺磁性金属离子的螯合复合物。