2-[2-[[2-(Aminomethyl)-3-[3-(1,3-dihydroxypropan-2-yloxy)-2-(1,3-dihydroxypropan-2-yloxymethyl)propoxy]propoxy]methyl]-3-(1,3-dihydroxypropan-2-yloxy)propoxy]propane-1,3-diol | 873200-59-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油脂
• 英文名称: 2-[2-[[2-(Aminomethyl)-3-[3-(1,3-dihydroxypropan-2-yloxy)-2-(1,3-dihydroxypropan-2-yloxymethyl)propoxy]propoxy]methyl]-3-(1,3-dihydroxypropan-2-yloxy)propoxy]propane-1,3-diol
• CAS: 873200-59-0
• 化学式: C₂₄H₅₁NO₁₄
• 分子量: 577.667
• InChiKey: ANNNQXPFRLSDEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6
• 重原子数：
  39
• 可旋转键数：
  29
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  243
• 氢给体数：
  9
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  在 盐酸 、 10 % Pd(OH)2/C 氢气 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 96.0h， 生成 2-[2-[[2-(Aminomethyl)-3-[3-(1,3-dihydroxypropan-2-yloxy)-2-(1,3-dihydroxypropan-2-yloxymethyl)propoxy]propoxy]methyl]-3-(1,3-dihydroxypropan-2-yloxy)propoxy]propane-1,3-diol
  参考文献：
  名称：

  [EN] 1 , 4 -BIS (CARBOXYMETHYL) -6- ' BIS ( CARBOXYMETHYL) AMINO ! -6 -METHYL- PERHYDRO-1 , 4 DIAZEPINE (AAZTA) DERIVATIVES AS LIGANDS IN HIGH RELAXIVITY CONTRAST AGENTS FOR USE IN MAGNETIC RESONANCE IMAGING (MRI )
  [FR] AGENTS DE CONTRASTE A RELAXIVITE ACCRUE

  摘要：

  公开号：

  WO2006002873A3

文献信息

• Efficient relaxivity enhancement in dendritic gadolinium complexes: effective motional coupling in medium molecular weight conjugates
  作者：David A. Fulton、Mark O'Halloran、David Parker、Kanthi Senanayake、Mauro Botta、Silvio Aime

  DOI：10.1039/b413536a

  日期：——

  Enhancement of the relaxivities of Gd-based MRI contrast agents is achieved by placing the metal ion at the barycentre of the molecular complex in order to improve motional coupling.

  通过将金属离子置于分子复合物的双中心以改善运动耦合，可以增强钆基磁共振成像造影剂的弛豫性。
• Contrast Agents Endowed with High Relaxivity for Use in Magnetic Resonance Imaging (Mri) Which Contain a Chelating Moiety with Polyhydroxylated Substituents
  申请人：Aime Silvio

  公开号：US20070258905A1

  公开（公告）日：2007-11-08

  The present invention relates to a new class of paramagnetic ion-based contrast agents of molecular weight lower than 3.5 kDa that show a pharmacokinetic profile analogous to that of the commonly used T1-general extravascular agents and that are further characterized by a higher relaxivity.

  本发明涉及一种新的顺磁离子基对比剂，其分子量低于3.5 kDa，显示类似于常用的T1通用非血管内对比剂的药代动力学特征，并且具有更高的弛豫度。
• Contrast agents endowed with high relaxivity
  申请人：Aime Silvio

  公开号：US20110256067A1

  公开（公告）日：2011-10-20

  The present invention relates to a novel class of paramagnetic ion-based contrast agents of formula (I), wherein a chelating backbone moiety is highly functionalized by the presence of one or more polyhydroxylated chain, that show a pharmacokinetic profile analogous to that of the commonly used T1-general extravascular agents (NSA) but are further characterized by a higher relaxivity.

  本发明涉及一种新型的基于顺磁离子的对比剂类别，其化学式为(I)，其中螯合骨架部分通过一个或多个多羟基链的存在高度功能化，表现出与常用的T1通用非血管外用对比剂(NSA)相似的药代动力学特征，但具有更高的弛豫度。
• CONTRAST AGENTS ENDOWED WITH HIGH RELAXIVITY FOR USE IN MAGNETIC RESONANCE IMAGING (MRI) WHICH CONTAIN A CHELATING MOIETY WITH POLYHYDROXYLATED SUBSTITUENTS
  申请人：Bracco Imaging S.p.A

  公开号：EP1765812B1

  公开（公告）日：2009-04-29
• 1,4-BIS(CARBOXYMETHYL)-6-[BIS(CARBOXYMETHYL)AMINO]-6-METHYL-PERHYDRO-1,4-DIAZEPINE (AAZTA) DERIVATIVES AS LIGANDS IN HIGH RELAXIVITY CONTRAST AGENTS FOR USE IN MAGNETIC RESONANCE IMAGING (MRI)
  申请人：Bracco Imaging S.p.A

  公开号：EP1786475B1

  公开（公告）日：2009-04-29