3-(2-benzyloxy-1-(benzyloxymethyl)ethoxy)-2-(2-benzyloxy-1-(benzyloxymethyl)ethoxymethyl)propanol | 219744-39-5

• 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: 3-(2-benzyloxy-1-(benzyloxymethyl)ethoxy)-2-(2-benzyloxy-1-(benzyloxymethyl)ethoxymethyl)propanol
• 英文别名: 3-[1,3-Bis(phenylmethoxy)propan-2-yloxy]-2-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]propan-1-ol
• CAS: 219744-39-5
• 化学式: C₃₈H₄₆O₇
• 分子量: 614.779
• InChiKey: NWOQYWVBVSQYLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  45
• 可旋转键数：
  23
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  75.6
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3-(2-benzyloxy-1-(benzyloxymethyl)ethoxy)-2-(2-benzyloxy-1-(benzyloxymethyl)ethoxymethyl)propanol 在 9-borabicyclo[3.3.1]nonane dimer 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 dendritic alcohol
  参考文献：
  名称：

  脂肪族聚醚树枝状化合物的合成与表面功能化

  摘要：

  描述了一种新型脂肪族聚醚树突的聚合合成和表面改性。该合成使用二甲代烯丙基二氯作为单体结构单元以及外围苄醚和缩酮保护的羟基官能团。甲代烯丙基二氯的亲电部分的烯丙基性质促进了它们被 2 当量的适当末端醇基团的亲核置换。在偶联步骤中发挥其活化功能后，烯烃焦点可以通过硼氢化 - 氧化有效地转化为伯醇，导致亲核试剂，然后可以再次偶联到额外的单体上。这些偶联和激活步骤的重复提供了更高代的树突。

  DOI：

  10.1021/ja001903v
• 作为产物：
  描述：

  1,3-双(苄氧基)-2-丙醇 在 氢氧化钾 、 三氟化硼四氢呋喃络合物 、 18-冠醚-6 作用下， 以 四氢呋喃 为溶剂， 反应 7.5h， 生成 3-(2-benzyloxy-1-(benzyloxymethyl)ethoxy)-2-(2-benzyloxy-1-(benzyloxymethyl)ethoxymethyl)propanol
  参考文献：
  名称：

  Amphiphilic polyether branched molecules to increase the circulation time of cationic particles

  摘要：

  The preparation, physicochemical and biological properties of amphiphilic polyether branched molecules is described. These 'bunch shaped' molecules when inserted into cationic liposomes/DNA complexes have shown efficient surface charge shielding. As a consequence they efficiently inhibited the non specific interactions with blood components and significantly enhanced circulation time of the particles in the blood track. Formulations containing these molecules compared positively with those containing PEG lipids, providing a 5-fold increase in circulation time. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.02.037

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。
• End-Cap Stabilized Oligoynes: Model Compounds for the Linear sp Carbon Allotrope Carbyne
  作者：Thomas Gibtner、Frank Hampel、Jean-Paul Gisselbrecht、Andreas Hirsch

  DOI：10.1002/1521-3765(20020118)8:2<408::aid-chem408>3.0.co;2-l

  日期：2002.1.18

  Three series of differently 3,5-disubstituted alpha,omega-diphenylpolyynes Ar-(CdropC)(n)-Ar (n=2, 4, 6, 8, 10) were synthesized under optimized Cadiot-Chodkiewicz conditions, isolated and completely characterized. These compounds can be considered as model substances for the hypothetical one-dimensional carbon allotrope carbyne C, The longest sp-carbon chain contains 20 atoms and is therefore the longest, purely organic polyyne studied with NMR techniques. Extinction coefficients over 600000m(-1)cm(-1) represent the highest measured quantitative values for that compound class so far. Comparisons with previous investigations and electrochemical studies allow the assignment of absorption for both wavelength regions structuring the UV/Vis spectra. Based on the trends in the spectroscopic behaviour of those molecules with increasing chain length. electronic as well as the NMR properties of carbyne are predicted, in line with our previously reported results. The observed stability mise the. properties pro synthesis of even longer polyynes.
• [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