2-[2-[[3-Hydroxy-2-(hydroxymethyl)-2-methylpropoxy]methyl]prop-2-enoxymethyl]-2-methylpropane-1,3-diol | 873200-53-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[2-[[3-Hydroxy-2-(hydroxymethyl)-2-methylpropoxy]methyl]prop-2-enoxymethyl]-2-methylpropane-1,3-diol
• CAS: 873200-53-4
• 化学式: C₁₄H₂₈O₆
• 分子量: 292.373
• InChiKey: GCNJLIZXXOSCTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  20
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  99.4
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-[2-[[3-Hydroxy-2-(hydroxymethyl)-2-methylpropoxy]methyl]prop-2-enoxymethyl]-2-methylpropane-1,3-diol 、 溴甲苯 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 73.0h， 以92%的产率得到[2-Methyl-2-[2-[[2-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)propoxy]methyl]prop-2-enoxymethyl]-3-phenylmethoxypropoxy]methylbenzene
  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
• 作为产物：
  描述：

  (Nk-)₂[G-2]-ene 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.0h， 以93%的产率得到2-[2-[[3-Hydroxy-2-(hydroxymethyl)-2-methylpropoxy]methyl]prop-2-enoxymethyl]-2-methylpropane-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

• 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
• US7988950B2
  申请人：——

  公开号：US7988950B2

  公开（公告）日：2011-08-02