2-[2-(aminomethyl)-3-[2-hydroxy-1-(hydroxymethyl)ethoxy]propoxy]-1,3-propanediol | 847904-54-5

• 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-(aminomethyl)-3-[2-hydroxy-1-(hydroxymethyl)ethoxy]propoxy]-1,3-propanediol
• 英文别名: 2-[2-(Aminomethyl)-3-(1,3-dihydroxypropan-2-yloxy)propoxy]propane-1,3-diol
• CAS: 847904-54-5
• 化学式: C₁₀H₂₃NO₆
• 分子量: 253.296
• InChiKey: UHBSKPHZXHDIBV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.4
• 重原子数：
  17
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  125
• 氢给体数：
  5
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  [2-[2-(Azidomethyl)-3-[1,3-bis(phenylmethoxy)propan-2-yloxy]propoxy]-3-phenylmethoxypropoxy]methylbenzene 在 palladium dihydroxide 一水合肼 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 2-[2-(aminomethyl)-3-[2-hydroxy-1-(hydroxymethyl)ethoxy]propoxy]-1,3-propanediol
  参考文献：
  名称：

  Efficient relaxivity enhancement in dendritic gadolinium complexes: effective motional coupling in medium molecular weight conjugates

  摘要：

  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。

  DOI：

  10.1039/b413536a

文献信息

• 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。
• Dimeric contrast agents
  申请人：BRACCO IMAGING S.P.A.

  公开号：US10407412B2

  公开（公告）日：2019-09-10

  The present invention relates to new class of dimeric macrocycles capable of chelating paramagnetic metal ions, their chelated complexes with metal ions and the use thereof as contrast agents, particularly suitable for Magnetic Resonance Imaging (MRI) analysis.

  本发明涉及能够螯合顺磁性金属离子的新型二聚大环、它们与金属离子的螯合复合物，以及将其用作造影剂，特别是适用于磁共振成像（MRI）分析的造影剂。
• [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 )<br/>[FR] AGENTS DE CONTRASTE A RELAXIVITE ACCRUE
  申请人：BRACCO IMAGING SPA

  公开号：WO2006002873A3

  公开（公告）日：2007-05-10
• 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