methyl 4-(2-(2-hydroxyethoxy)ethoxy)benzoate | 159550-14-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl 4-(2-(2-hydroxyethoxy)ethoxy)benzoate
• 英文别名: Methyl 4-[2-(2-hydroxyethoxy)ethoxy]benzoate
• CAS: 159550-14-8
• 化学式: C₁₂H₁₆O₅
• 分子量: 240.256
• InChiKey: DIBCDUSAGJAGFC-UHFFFAOYSA-N

物化性质

• 沸点：
  380.2±27.0 °C(Predicted)
• 密度：
  1.173±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 4-(2-(2-hydroxyethoxy)ethoxy)benzoate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以28.4%的产率得到2-(2-(4-(hydroxymethyl)phenoxy)ethoxy)ethanol
  参考文献：
  名称：

  COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS

  摘要：

  本发明提供了具有成像基团的化合物，用于对受试者进行成像。本发明还涉及用于合成和使用成像试剂或其前体的系统、组合物和方法。成像试剂前体可以使用本文所述的方法转化为成像试剂。在某些情况下，组合物或多种成像试剂富集于 18 F。在某些情况下，成像试剂可用于成像受试者的感兴趣区域，包括但不限于心脏、心血管系统、心脏血管、大脑和其他器官。

  公开号：

  US20150196672A1
• 作为产物：
  描述：

  对羟基苯甲酸 在 硫酸 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 methyl 4-(2-(2-hydroxyethoxy)ethoxy)benzoate
  参考文献：
  名称：

  Synthesis and Pharmacological Evaluation of Fluorine-Containing D₃ Dopamine Receptor Ligands

  摘要：

  A series of fluorine-containing N-(2-methoxyphenyl)piperazine and N-(2-fluoroethoxy)piperazine analogues were synthesized, and their affinities for human dopamine D-2, D-3, and D-4 receptors were determined. Radioligand binding studies identified five compounds, 18a, 20a, 20c, 20e, and 21e, which bind with high affinity at D-3 (K-i = 0.17-5 nM) and moderate to high selectivity for D-3 VS D-2 receptors (ranging from similar to 25-to 163-fold). These compounds were also evaluated for intrinsic activity at D-2 and D3 receptors using a forskolin-dependent adenylyl cyclase assay. This panel of compounds exhibits varying receptor subtype binding selectivity and intrinsic activity at D-2 VS D-3 receptors. These compounds may be useful for behavioral pharmacology studies on the role of D-2-like dopamine receptors in neuropsychiatric and neurological disorders. Furthermore, compound 20e, which has the highest binding affinity and selectivity for the D-3 receptor (K-i = 0.17 nM for D-3, 163-fold selectivity for D-3 VS D-2 receptors), represents a candidate fluorine-18 radiotracer for in vivo PET imaging studies on the regulation of D-3 receptor expression.

  DOI：

  10.1021/jm101323b

文献信息

• N-Alkylated Iminosugar Based Ligands: Synthesis and Inhibition of Human Lysosomal β-Glucocerebrosidase
  作者：Andreas Wolfsgruber、Martin Thonhofer、Patrick Weber、Seyed A. Nasseri、Roland Fischer、Michael Schalli、Arnold E. Stütz、Stephen G. Withers、Tanja M. Wrodnigg

  DOI：10.3390/molecules25204618

  日期：——

  d-gluco as well as d-xylo configuration towards their interaction with human lysosomal β-glucocerebrosidase has been evaluated. A versatile synthetic toolbox has been developed for the synthesis of N-alkylated iminosugar scaffolds conjugated to a variety of terminal groups via a benzoic acid ester linker. The terminal groups such as nitrile, azide, alkyne, nonafluoro-tert-butyl and amino substituents

  已经评估了 d-葡萄糖和 d-xylo 构型中一系列基于 N-烷基化亚氨基糖的抑制剂与人类溶酶体 β-葡萄糖脑苷脂酶相互作用的范围。已经开发了一种多功能合成工具箱，用于合成通过苯甲酸酯接头与各种末端基团缀合的 N-烷基化亚氨基糖支架。末端基团，如腈、叠氮化物、炔烃、九氟叔丁基和氨基取代基，可以进行后续化学和可视化实验。所有化合物都显示出有希望的抑制特性以及对 β-葡萄糖苷酶的选择性，其中一些化合物对 β-葡萄糖脑苷脂酶表现出低纳摩尔范围内的活性。
• Preparation and biodistribution of [18F]FP2OP as myocardial perfusion imaging agent for positron emission tomography
  作者：Tiantian Mou、Huihui Jing、Wenjiang Yang、Wei Fang、Cheng Peng、Feng Guo、Xianzhong Zhang、Yan Pang、Yunchuan Ma

  DOI：10.1016/j.bmc.2009.12.022

  日期：2010.2

  pyridaben, a mitochondrial complex I (MC-I) inhibitor, is well correlated with blood flow. Based on the synthesis and characterization of pyridaben analogue 2-tert-butyl-5-[2-(2-[18F]fluroethoxy)ethoxy]benzyloxy]-4-chloro-2H-pyridazin-3-one ([18F]FP2OP), this study assessed its potential to be developed as myocardial perfusion imaging (MPI) agent. Methods: The tosylate labeling precursor 2-(2-(4-(tert-b

  线虫复合物I（MC-I）抑制剂哒虫啉的心肌提取与血流密切相关。基于的合成和表征哒类似物2-叔丁基-5- [2-（2- [ 18 F] fluroethoxy）乙氧基]苄氧基] -4-氯-2- ħ -哒嗪-3-酮（[ 18 ˚F ] FP2OP），这项研究评估了其作为心肌灌注显像（MPI）试剂的潜力。 方法：甲苯磺酸酯标记前体2-（2-（4-（叔丁基-5-氯-6-氧代-1,6-二氢-哒嗪-4-基氧基甲基）苄氧基）乙氧基）乙基酯（OTs-P2OP）合成了非放射性的2-叔丁基-5- [2-（2- [2- [ 19 F]氟乙氧基）乙氧基]苄氧基] -4-氯-2 H-哒嗪-3-酮（[ 19 F] FP2OP），通过IR，1 H NMR，13 C NMR和MS分析进行表征。通过用18 F取代前体OTs-P2OP的甲苯磺酰基，放射性标记的复合物[ 18制备了F] FP2OP，并对其体外理化性质，体内生物
• FLUORESCENT PROBES FOR DNA DETECTION BY HYBRIDIZATION WITH IMPROVED SENSITIVITY AND LOW BACKGROUND
  申请人：Lokhov Sergey

  公开号：US20080293586A1

  公开（公告）日：2008-11-27

  Minor groove binder-oligonucleotide probes are provided along with methods for their use wherein the probes have an attached fluorophore which, in an unhybridized form exhibits very low background signal.

  提供了微小沟结合剂寡核苷酸探针以及其使用方法，其中探针具有附加的荧光物质，未杂交形式的荧光物质信号非常低。
• BIAXIALLY ORIENTED POLYETHYLENE NAPHTHALATE COPOLYMER FILM
  申请人：TEIJIN LIMITED

  公开号：EP0922726A1

  公开（公告）日：1999-06-16

  A biaxially oriented film which is made substantially of (1) a polyethylene naphthalate copolymer comprising an ethylene naphthalate unit in an amount of 92 to 99.5 mol% based on all recurring units and at least one copolymer component selected from the group consisting of (a) a glycol having a fluorene skeleton in the molecule, (b) p-hydroxymethylbenzoic acid, (c) p-hydroxyethoxybenzoic acid and (d) p-hydroxyethoxyethoxybenzoic acid in an amount of 0.5 to 8 mol% based on the total of all dicarboxylic acid components, and which has (2) Young's moduli in both longitudinal and transverse directions of 500 kg/mm2 or more and (3) a delamination resistance of 10 % or less in terms of fold line whitening ratio. Since this biaxially oriented film of the present invention is excellent in delamination resistance, curling resistance, mechanical strength, color and transparency, it is of great value as a base film for a photo film.

  一种双向拉伸薄膜，它主要由以下物质制成：(1)聚萘二甲酸乙二醇酯共聚物，其中萘二甲酸乙二醇酯单元的含量为 92 至 99.5摩尔％，至少有一种共聚组分选自以下组别：(a)分子中含有芴骨架的乙二醇，(b)对羟甲基苯甲酸，(c)对羟乙氧基苯甲酸和(d)对羟乙氧基乙氧基苯甲酸，其含量为0.(2)纵向和横向的杨氏模量均大于或等于 500 kg/mm2，(3)抗分层性（折线白化率）小于或等于 10%。 由于本发明的这种双向拉伸薄膜在抗分层性、抗卷曲性、机械强度、颜色和透明度方面都非常出色，因此作为照相胶片的基膜具有很高的价值。
• JP2015531760A5
  申请人：——

  公开号：JP2015531760A5

  公开（公告）日：2015-11-05