六乙二醇单苄醚对甲苯磺酸酯 | 129086-11-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 六乙二醇单苄醚对甲苯磺酸酯
• 英文名称: 19-Phenyl-3,6,9, 12,15,18-hexaoxanonadec-1-yl 4-methylbenzenesulfonate
• 英文别名: 1-Phenyl-2,5,8,11,14,17-hexaoxanonadecan-19-YL 4-methylbenzenesulfonate；2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
• CAS: 129086-11-9
• 化学式: C₂₆H₃₈O₉S
• 分子量: 526.648
• InChiKey: ISGUVDRQXACIEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  36
• 可旋转键数：
  22
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  107
• 氢给体数：
  0
• 氢受体数：
  9

安全信息

• 储存条件：
  存放在室温、干燥且密封的环境中。

制备方法与用途

苄基-PEG6-Ots是一种基于聚乙二醇(PEG)的PROTAC连接剂，可用于合成PROTAC化合物。

反应信息

• 作为反应物：
  描述：

  六乙二醇单苄醚对甲苯磺酸酯 在 potassium iodide 作用下， 以 丙酮 为溶剂， 以99%的产率得到1-benzyloxy-17-iodo-3n³₁₅-pentaoxaheptadecane
  参考文献：
  名称：

  Preparation of macrocyclon analogues: calix[8]arenes with extended polyethylene glycol chains

  摘要：

  A one-pot methodology has been developed for the preparation of macrocyclon mimics, i.e., calix[8]arenes containing hydrophobic alkyl substituents on the upper rim and hydrophilic polyethylene glycol chains on the lower rim. Compounds containing PEG chains of up to 24 repeating ethylene oxide (EO) units can be prepared. With increasing molecular weight, these amphiphilic compounds can be classified as macromolecules, and can be difficult to characterise as single molecules. The limitations of conventional analytical techniques are discussed. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.07.057
• 作为产物：
  描述：

  六甘醇 在 吡啶 、 potassium iodide 、 silver(l) oxide 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 六乙二醇单苄醚对甲苯磺酸酯
  参考文献：
  名称：

  Multigram Synthesis of Well-Defined Extended Bifunctional Polyethylene Glycol (PEG) Chains

  摘要：

  A series of novel, well-defined, unsymmetrical poly(ethylene glycol) chains of the type X(OCH2CH2)(n)Y (where X = protecting group; Y = nucleofuge or a different protecting group; n = 3, 6, 9, 12, 15, 18, and 24) were prepared in high yields by applying orthogonal protecting groups. The purity of the compounds was fully verified by elemental and high-resolution mass spectrometry analyses.

  DOI：

  10.1021/jo035042v

文献信息

• Novel alkanoic acid derivaties
  申请人：——

  公开号：US20040067202A1

  公开（公告）日：2004-04-08

  There are provided according to the invention compounds of the formula (I) or a salt or solvate thereof, wherein: n represents an integer 1 to 6; N represents an integer 1 to 15; R 1 represents (CO) x C 1-9 alkyl or (CO) x C 1-9 fluoroalkyl, which fluoroalkyl moiety contains at least 1 fluorine atom and not more than 3 consecutive perfluorocarbon atoms wherein x represents 0 or 1; and R 2 and R 3 independently represent C 1-3 alkyl or hydrogen. There are also provided pharmaceutical aerosol formulations employing said compounds as suspension stabilising agents.

  本发明提供了化合物(I)或其盐或溶剂，其中：n表示1至6的整数；N表示1至15的整数；R1表示(CO)xC1-9烷基或(CO)xC1-9氟烷基，其中氟烷基含有至少1个氟原子，但不超过3个连续的全氟碳原子，其中x表示0或1；R2和R3独立地表示C1-3烷基或氢。本发明还提供了以所述化合物作为悬浮稳定剂的制药气雾剂配方。
• Compounds for use as surfactants
  申请人：Looker Edgar Brian

  公开号：US20050287076A1

  公开（公告）日：2005-12-29

  Compounds of formula (I): and uses of such compounds are described.

  描述了化学式为(I)的化合物及其用途。
• Alkanoic acid derivatives
  申请人：SmithKline Beecham Corporation

  公开号：US07217409B2

  公开（公告）日：2007-05-15

  A method for treating respiratory disorders comprises administering to a patient a pharmaceutical aerosol formulation comprising: (i) a compound of formula (I) or a salt or solvate thereof, wherein: n represents an integer 1 to 6; N represents an integer 1 to 15; R1 represents —(CO)xC1-9 alkyl or —(CO)xC1-9 fluoroalkyl, which fluoroalkyl moiety contains at least 1 fluorine atom and not more than 3 consecutive perfluorocarbon atoms wherein x represents 0 or 1; and R2 and R3 independently represent C1-3alkyl or hydrogen, (ii) at least one medicament, and (iii) at least one propellant.

  一种治疗呼吸系统疾病的方法包括向患者给予一种药物气雾剂制剂，该制剂包括：（i）式（I）的化合物或其盐或溶剂化物，其中：n代表1至6的整数；N代表1至15的整数；R1代表—（CO）xC1-9烷基或—（CO）xC1-9氟烷基，其中所述氟烷基官能团含有至少1个氟原子且不超过3个连续的全氟碳原子，其中x代表0或1；R2和R3分别代表C1-3烷基或氢，（ii）至少一种药物，和（iii）至少一种推进剂。
• Lack of Effect of the Length of Oligoglycine- and Oligo(ethylene glycol)-Derived para-Substituents on the Affinity of Benzenesulfonamides for Carbonic Anhydrase II in Solution
  作者：Ahamindra Jain、Shaw G. Huang、George M. Whitesides

  DOI：10.1021/ja00091a005

  日期：1994.6

  Using H-1 NMR spectroscopy, values of T-2 have been determined for the methylene protons of the oligoglycine moieties of para-substituted benzenesulfonamides having structures H2NO2SC6H4CO(Gly)(n)OH (n = 1-6) bound at the active site of bovine carbonic anhydrase II (CA, EC 4.2.1.1). These values have been correlated with measurements of dissociation constants of these complexes, in order to infer motion of these ligands when bound to the enzyme. Motion of glycines 1-3 (those closest to the aryl ring) is hindered by their proximity to the protein; motion of glycines 4-6 is relatively unhindered. Despite the restriction to motion inferred for glycines 1-3, the values of K-d for the six compounds (n = 1-6, 1-6) are indistinguishable within experimental uncertainty (+/-20%): K-d in mu M (n) 0.30 (1); 0.26 (2); 0.33 (3); 0.37 (4); 0.37 (5); 0.34 (6). There is, therefore, an unexpected compensation of the loss in conformational entropy on binding by another contributor to the free energy.
• Selve, C.; Achilefu, S.; Mansuy, L., Synthetic Communications, 1990, vol. 20, # 6, p. 799 - 807
  作者：Selve, C.、Achilefu, S.、Mansuy, L.

  DOI：——

  日期：——