十八乙二醇 | 4445-03-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 十八乙二醇
• 英文名称: PEG1000
• 英文别名: 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-heptadecaoxa-tripentacontane-1,53-diol；3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-Heptadecaoxa-tripentacontan-1,53-diol；Octadecaaethylenglykol；HO-Peg18-OH；2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• CAS: 4445-03-8
• 化学式: C₃₆H₇₄O₁₉
• 分子量: 810.972
• InChiKey: WPTOGBNHVWOHQK-UHFFFAOYSA-N

物化性质

• 沸点：
  766.3±55.0 °C(Predicted)
• 密度：
  1.117±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -3.7
• 重原子数：
  55
• 可旋转键数：
  52
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  197
• 氢给体数：
  2
• 氢受体数：
  19

制备方法与用途

HO-PEG18-OH是一种基于聚乙二醇（PEG）的PROTAC连接剂，可用于合成PROTAC分子。

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  六甘醇	Hexaethylene glycol	2615-15-8	C12H26O7	282.334
  九甘醇	nonaethylene glycol	3386-18-3	C18H38O10	414.494
  二乙二醇	diethylene glycol	111-46-6	C4H10O3	106.122
  2-[2-[2-[2-[2-(2-羟基乙氧基)乙氧基]乙氧基]乙氧基]乙氧基]乙醇,二氯化	1,17-dichloro-3,6,9,12,15-pentaoxaheptadecane	52559-90-7	C12H24Cl2O5	319.226

反应信息

• 作为反应物：
  描述：

  十八乙二醇 在 吡啶 、 氯化亚砜 作用下， 生成 1,5,3-dichloro-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-heptadecaoxa-tri-pentacontane
  参考文献：
  名称：

  Studies on Reactions Relating to Carbohydrates and Polysaccharides. LVI. The Synthesis of the Higher Polyoxyethylene Glycols

  摘要：

  DOI：

  10.1021/ja01876a072
• 作为产物：
  描述：

  六甘醇 在 吡啶 、 氯化亚砜 作用下， 生成 十八乙二醇
  参考文献：
  名称：

  Studies on Reactions Relating to Carbohydrates and Polysaccharides. LVI. The Synthesis of the Higher Polyoxyethylene Glycols

  摘要：

  DOI：

  10.1021/ja01876a072

文献信息

• Preparation and crystallinity of a large unsubstituted crown ether, cyclic heptacosa(oxyethylene)(cyclo-E27, 81-crown-27), studied by Raman spectroscopy, X-ray scattering and differential scanning calorimetry
  作者：Zhuo Yang、Ga-Er Yu、Jennifer Cooke、Ziad Ali-Adib、Kyriakos Viras、Hiroatsu Matsuura、Anthony J. Ryan、Colin Booth

  DOI：10.1039/ft9969203173

  日期：——

  α-hydro, ω-hydroxy-heptacosa(oxyethylene) by reaction with tosyl chloride under alkaline conditions, purified by preparative-scale gel permeation chromatography, and studied by laser-Raman spectroscopy, wide-angle and small-angle X-ray scattering, and differential scanning calorimetry. Comparison was made with the properties of linear oligo(oxyethylene) dimethyl ethers (including C1E27C1). The sub-cell

  环状二十七（oxyethyelene）（环-E 27，81冠27）制备线性α羟基苯，ω -羟基二十七（氧乙烯）通过在碱性条件下对甲苯磺酰氯，由制备级凝胶渗透色谱法纯化反应，并通过激光拉曼光谱，广角和小角X射线散射以及差示扫描量热法进行了研究。与线性低聚（氧乙烯）二甲基醚（包括C 1 E 27 C 1）的性质进行了比较。结晶环状低聚物的子单元与其线性对应物的子单元相同，即与高摩尔质量的聚氧乙烯相同。然而，环状低聚物结晶为两倍折叠的环，这是由其较长的间隔和其单节点纵向声模（LAM-1）的频率所证实的。分析了熔化和熔融温度的焓，以提供在低聚（氧化乙烯）层晶体中形成折叠的焓和熵的估计。
• Identification of Parthenolide Dimers as Activators of Pyruvate Kinase M2 in Xenografts of Glioblastoma Multiforme in Vivo
  作者：Yahui Ding、Qingqing Xue、Shuo Liu、Kai Hu、Da Wang、Tianpeng Wang、Ye Li、Hongyu Guo、Xin Hao、Weizhi Ge、Yan Zhang、Ang Li、Jing Li、Yue Chen、Quan Zhang

  DOI：10.1021/acs.jmedchem.9b01328

  日期：2020.2.27

  knockdown assay demonstrated that the anti-GBM effect of 5 mainly depended on the expression of PKM2 in vitro and in vivo. Compound 16, a prodrug of 5, markedly suppressed U118 tumor xenograft growth and reduced the weight of tumor. On the basis of these investigations, we propose that 16 might be considered as a promising lead compound for discovery of anti-GBM drugs.

  在本文中，我们详细介绍了一系列作为PKM2激活剂的酚类二聚体的发现及其抗GBM活性的评估。最有前途的化合物5表现出以15 nM的AC50值激活PKM2的高效能，抑制增殖和转移，并诱导GBM细胞凋亡。化合物5可以促进GBM细胞中PKM2的四聚体形成并减少PKM2的核易位，而不影响总PKM2的表达，从而在体外和体内抑制STAT3信号通路。PKM2敲低分析表明5的抗GBM作用主要取决于体外和体内PKM2的表达。化合物16（5的前药）显着抑制了U118肿瘤异种移植的生长并减轻了肿瘤的重量。根据这些调查，
• Textile finish and processes for its preparation and use
  申请人：BASF Aktiengesellschaft

  公开号：US04207073A1

  公开（公告）日：1980-06-10

  A process for the preparation of a textile finish, the textile finish thus obtained and its use for the easy-care finishing of textiles containing, or consisting of, cellulose. The textile finish comprises an aqueous solution, of from 30 to 70 percent strength by weight, of a mixture of the conventionally formaldehyde-methylolated carbamates I and II ##STR1## where R.sup.1 is hydrogen or alkyl of 1 to 4 carbon atoms and R.sup.2 and R.sup.3 are hydrogen, or one is hydrogen and the other is methyl, in the weight ratio I:II of from 12:1 to 1:20. The textile finish is prepared by reacting a glycol or an alkylglycol of the formulae III and IV ##STR2## where R.sup.1, R.sup.2 and R.sup.3 have the above meanings, with urea at above 100.degree. C., so as to eliminate ammonia and give carbamates, and subsequent conventional methylolation with formaldehyde, wherein, in a first stage, the glycol or alkylglycol of the formula III is reacted to the extent of at least 50% with urea, in the absence of a catalyst, at from 130.degree. to 160.degree. C., to give the carbamate I, and in a second stage, carried out either in the presence of an ion exchanger, containing nickel ions, as the catalyst, at from 130.degree. to 165.degree. C., or in the absence of a catalyst at from 150.degree. to 200.degree. C., the carbamate mixture in the weight ratio I:II of from 12:1 to 1:20, is prepared by addition of the glycol or alkylglycol of the formula IV and further urea.

  一种制备纺织品整理剂的方法，所得到的纺织品整理剂以及其用于含有或由纤维素组成的纺织品的易护理整理。该纺织品整理剂包括30%至70%重量浓度的混合物，该混合物为惯常甲醛甲醇化碳酸酯I和II的混合物，式为##STR1##其中R.sup.1是氢或1至4个碳原子的烷基，R.sup.2和R.sup.3是氢或一个是氢，另一个是甲基，在I:II的重量比为12:1至1:20。该纺织品整理剂是通过使式III和IV的乙二醇或烷基乙二醇与脲在100℃以上反应，以消除氨并产生碳酸酯，然后进行惯常的甲醛甲醇化反应制备的。在第一阶段中，以130℃至160℃的温度下，在没有催化剂的情况下，将式III的乙二醇或烷基乙二醇至少50%地与脲反应，以产生碳酸酯I；在第二阶段中，以I:II的重量比为12:1至1:20，在存在离子交换剂（含有镍离子）的催化剂下，以130℃至165℃的温度或在没有催化剂的情况下，以150℃至200℃的温度下进行反应，以制备碳酸酯混合物，加入式IV的乙二醇或烷基乙二醇和进一步的脲。
• Methods for stripping material for wafer reclamation
  申请人：ADVANCED TECHNOLOGY MATERIALS, INC.

  公开号：EP1975987A2

  公开（公告）日：2008-10-01

  Removal compositions and processes for removing at least one material layer from a rejected microelectronic device structure having same thereon. The removal composition includes hydrofluoric acid. The composition achieves substantial removal of the material(s) to be removed while not damaging the layers to be retained, for reclaiming, reworking, recycling and/or reuse of said structure.

  用于从被剔除的微电子器件结构上去除至少一层材料层的去除组合物和工艺。去除组合物包括氢氟酸。该组合物可大量去除待去除的材料，同时不损坏待保留的材料层，以便对所述结构进行回收、再加工、再循环和/或再利用。
• Synthesis, physicochemical characterization, and investigation of anti-inflammatory activity of water-soluble PEGylated 1,2,4-Triazoles
  作者：Sin-Min Li、Wei-Zheng Zeng、Cheng-Yen Chung、Naoto Uramaru、Guan-Jhong Huang、Fung Fuh Wong

  DOI：10.1016/j.bioorg.2024.107312

  日期：2024.6

  A series of water-soluble PEGylated 1,2,4-triazoles – were successfully synthesized from methyl 5-(chloromethyl)-1-aryl-1-1,2,4-triazole-3-carboxylates . All of the water-soluble PEGylated 1,2,4-triazoles were characterized by FT-IR and H NMR spectroscopy. The solubility, plasma stability, and anti-inflammatory activity were also determined and compared to original methyl 5-(halomethyl)-1-aryl-1-1

  由5-(氯甲基)-1-芳基-1-1,2,4-三唑-3-羧酸甲酯成功合成了一系列水溶性聚乙二醇化1,2,4-三唑。所有水溶性聚乙二醇化 1,2,4-三唑均通过 FT-IR 和 1H NMR 光谱进行表征。还测定了溶解度、血浆稳定性和抗炎活性，并与原始 5-(卤甲基)-1-芳基-1-1,2,4-三唑-3-羧酸甲酯进行比较。对于 SAR 研究，所有聚乙二醇化 1,2,4-三唑对 LPS 诱导的 RAW 264.7 细胞均具有潜在的抗炎活性 (IC = 3.42–7.81 μM)。此外，Western blot结果显示，聚乙二醇化1,2,4-三唑对iNOS和COX-2表达的抑制活性分别是5.43倍和2.37倍。另一方面，细胞活力研究表明，聚乙二醇化1,2,4-三唑且PEG分子量超过600时，具有更好的细胞安全性（细胞活力> 95%）。通过溶解度和血浆稳定性研究，聚乙二醇化 1,2,4-三唑 - 表