8-(2H-tetrahydropyran-2-yloxy)-1-(methylsulfonyl)oxy-3n³₆-dioxaoctane | 357204-84-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: 8-(2H-tetrahydropyran-2-yloxy)-1-(methylsulfonyl)oxy-3n³₆-dioxaoctane
• 英文别名: (2-(2-(2-(tetrahydro-2H-pyran-2-yloxy)ethoxy)ethoxy)ethyl) methanesulfonate；MS-Peg3-thp；2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethyl methanesulfonate
• CAS: 357204-84-3
• 化学式: C₁₂H₂₄O₇S
• 分子量: 312.384
• InChiKey: RFYAMGSUFSJURS-UHFFFAOYSA-N

物化性质

• 沸点：
  461.5±45.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  20
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  88.7
• 氢给体数：
  0
• 氢受体数：
  7

安全信息

• 储存条件：
  存储条件：2-8°C，密封保存，置于干燥处。

制备方法与用途

MS-PEG3-THP 是一种PROTAC连接子，属于PEG类化合物，可用来合成PROTAC分子。

反应信息

• 作为反应物：
  描述：

  8-(2H-tetrahydropyran-2-yloxy)-1-(methylsulfonyl)oxy-3n³₆-dioxaoctane 在 sodium hydride 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 甲醇 、 二甲基亚砜 为溶剂， 反应 24.0h， 生成 14-(5-cholesten-3α-yloxy)-3n³₁₂-tetraoxatetradecan-1-ol
  参考文献：
  名称：

  Synthesis of Cholesterylated Thiogalactosides for Gene Delivery

  摘要：

  A series of cholesterylated thiogalactosides L-1 - L-6 the cell targeting ligands for gene delivery to hepatocytes, was synthesized. Related poly( ethylene glycol) chain was used as a bridge for the attachment of galactoside on one hydroxyl end, while the other hydroxyl end was linked with cholesterol. This design provided an effective entry for the synthesis of a poly( ethylene glycol) compound with the hepatocyte targeting.

  DOI：

  10.1080/00397910600764634
• 作为产物：
  描述：

  3,4-二氢-2H-吡喃 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 8-(2H-tetrahydropyran-2-yloxy)-1-(methylsulfonyl)oxy-3n³₆-dioxaoctane
  参考文献：
  名称：

  Novel synthetic LPDs consisting of different cholesterol derivatives for gene transfer into hepatocytes

  摘要：

  In the present study, LPDs composing of a series of novel synthetic cholesterylated derivatives bearing a cluster of galactose residues and different spacer lengths were prepared for performing target gene delivery to hepatocytes and their physiochemical properties as well as gene transfer efficiency were investigated. In agreement with the "clustering effect" known to occur with more complex oligomeric structures, the addition of galactose residues under optimized spatial arrangement condition invariably increased the transfect efficiency into hepatoma cells, which can be owed to the sufficient binding of galactose ligands to the ASGPR on hepatocytes. However, the gene transfer ability to hepatocytes was not always improved with extended spacer arms, suggesting a spatial binding sites arrangement of the receptor. Moreover, our research has established galactosylated LPDs, specifically, LPDIIb, LPDIIIc, and LPDIVe as potential vectors to deliver special genes into hepatocytes with low toxicity, combining the condensing effect of protamine and the targeting capability of cholesterylated thiogalactosides.

  DOI：

  10.3109/10611860903548370

文献信息

• [EN] INHIBITORS OF HEPATITIS C VIRUS POLYMERASE<br/>[FR] INHIBITEURS DE POLYMÉRASE DU VIRUS DE L'HÉPATITE C
  申请人：COCRYSTAL PHARMA INC

  公开号：WO2016154241A1

  公开（公告）日：2016-09-29

  The present invention provides, among other things, compounds represented by the general Formula I: (I) and pharmaceutically acceptable salts thereof, wherein L and A (and further substituents) are as defined in classes and subclasses herein and compositions (e.g., pharmaceutical compositions) comprising such compounds, which compounds are useful as inhibitors of hepatitis C virus polymerase, and thus are useful, for example, as medicaments for the treatment of HCV infection.

  本发明提供了一种由一般式I表示的化合物，以及其药学上可接受的盐，其中L和A（以及进一步的取代基）如本文中的类和子类中所定义，并且包括这些化合物的组合物（例如，药物组合物），这些化合物可用作丙型肝炎病毒聚合酶的抑制剂，因此可用作治疗HCV感染的药物。
• KAPPA OPIOID AGONISTS AND USES THEREOF
  申请人：NEKTAR THERAPEUTICS

  公开号：US20160145245A1

  公开（公告）日：2016-05-26

  Provided are compounds of Formula I; and pharmaceutically acceptable salts and solvates thereof. The compounds of Formula I described herein relate to and/or have application(s) in (among others) the fields of drug discovery, pharmacotherapy, physiology, organic chemistry and polymer chemistry.

  提供的是公式I的化合物；以及其药学上可接受的盐和溶剂化合物。本文所描述的公式I的化合物与/或适用于（其中之一）药物发现、药理学、生理学、有机化学和高分子化学等领域。
• Kappa opioid agonists and uses thereof
  申请人：Nektar Therapeutics

  公开号：US10407416B2

  公开（公告）日：2019-09-10

  Provided are compounds of Formula I: and pharmaceutically acceptable salts and solvates thereof, wherein R1, R2, R3, R4, R5, and R6 are as described herein. The compounds of Formula I are agonists of the kappa opioid receptor and relate to and/or have application(s) in (among others) the fields of drug discovery, pharmacotherapy, physiology, organic chemistry and polymer chemistry.

  提供的是式 I 的化合物： 及其药学上可接受的盐和溶液，其中 R1、R2、R3、R4、R5 和 R6 如本文所述。式 I 的化合物是卡巴阿片受体的激动剂，与药物发现、药物治疗、生理学、有机化学和聚合物化学等领域有关和/或具有应用价值。
• Inhibitors of hepatitis C virus polymerase
  申请人：COCRYSTAL PHARMA, INC.

  公开号：US10464914B2

  公开（公告）日：2019-11-05

  The present invention provides, among other things, compounds represented by the general Formula I: (I) and pharmaceutically acceptable salts thereof, wherein L and A (and further substituents) are as defined in classes and subclasses herein and compositions (e.g., pharmaceutical compositions) comprising such compounds, which compounds are useful as inhibitors of hepatitis C virus polymerase, and thus are useful, for example, as medicaments for the treatment of HCV infection.

  本发明除其他外提供了通式I所代表的化合物：（I）及其药学上可接受的盐，其中L和A（以及进一步的取代基）如本文类和亚类所定义，以及包含此类化合物的组合物（例如药物组合物），这些化合物可用作丙型肝炎病毒聚合酶的抑制剂，因此可用作例如治疗HCV感染的药物。
• INHIBITORS OF HEPATITIS C VIRUS POLYMERASE
  申请人：COCRYSTAL PHARMA, INC.

  公开号：US20180050998A1

  公开（公告）日：2018-02-22

  The present invention provides, among other things, compounds represented by the general Formula I: (I) and pharmaceutically acceptable salts thereof, wherein L and A (and further substituents) are as defined in classes and subclasses herein and compositions (e.g., pharmaceutical compositions) comprising such compounds, which compounds are useful as inhibitors of hepatitis C virus polymerase, and thus are useful, for example, as medicaments for the treatment of HCV infection.