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三聚乙二醇-乙酸 | 51951-05-4

中文名称
三聚乙二醇-乙酸
中文别名
——
英文名称
triethylene glycol monoglycolide
英文别名
HO-Peg3-CH2cooh;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetic acid
三聚乙二醇-乙酸化学式
CAS
51951-05-4
化学式
C8H16O6
mdl
——
分子量
208.211
InChiKey
NUAYEVLSVMOUPE-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    375.2±27.0 °C(Predicted)
  • 密度:
    1.211±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    -1.3
  • 重原子数:
    14
  • 可旋转键数:
    10
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.88
  • 拓扑面积:
    85.2
  • 氢给体数:
    2
  • 氢受体数:
    6

安全信息

  • 危险性防范说明:
    P261,P264,P271,P280,P302+P352,P304+P340,P305+P351+P338,P312,P321,P332+P313,P337+P313,P362,P403+P233,P405,P501
  • 危险性描述:
    H315,H319,H335
  • 储存条件:
    2-8°C

制备方法与用途

PROTAC Linker 8 (Compound 15b) 是一种用于合成一系列 SNIPER(ER) 的 PROTAC 连接桥。SNIPER(ER) 包含两个通过连接桥相连的不同配体:一个 E3 泛素连接酶配体,另一个是靶蛋白配体。这些结构能够诱导细胞中目标蛋白质的多泛素化和随后的蛋白酶体降解。

上下游信息

反应信息

  • 作为反应物:
    描述:
    三聚乙二醇-乙酸palladium dihydroxide 吡啶盐酸 、 palladium diacetate 、 potassium fluoride 、 sodium hydroxide硫酸四丁基碘化铵potassium carbonate2-(二叔丁基膦)联苯环己烯 作用下, 以 四氢呋喃甲醇乙醚乙腈 为溶剂, 反应 54.0h, 生成 11-[4,4''-bis(3,7-dimethyloctyloxy)-p-terphenyl-2'-yloxy]-3,6,9-trioxaundecanoic acid
    参考文献:
    名称:
    碳水化合物棒共轭物:三元棒-线圈分子形成复杂的液晶结构
    摘要:
    T 形多亲三嵌段分子,由棒状对三联苯单元、以 1-acylamino-1-deoxy-D-山梨糖醇单元封端的亲水且柔性的侧向连接的低聚(氧乙烯)链和两个末端连接的亲脂烷基组成链,已通过钯催化的交叉偶联反应合成为关键步骤。通过偏光显微镜、差示扫描量热法 (DSC) 和 X 射线散射研究了这些化合物的热致液晶行为。我们研究了自组织模式作为横向极性链的长度和位置以及末端烷基链的长度的函数。根据极性和亲脂性片段的大小,检测到一系列不寻常的液晶相。在这三个阶段中,空间被划分为三个不同的周期性子空间。除了由极性柱穿透的层组成的六边形通道层相(ChL(hex))外,还有由方形(Col(squ)/p4mm)或五边形圆柱体(Col(方)/p4gm)。圆柱壁由由烷基链柱稠合的三联苯单元组成,内部包含极性侧链。此外,观察到六方柱状相,其中极性柱在三联苯和烷基链的连续体中组织,三联苯核在柱周围切向组织,长轴垂直于
    DOI:
    10.1021/ja0535357
  • 作为产物:
    描述:
    三乙二醇盐酸氢氧化钾 、 Amberlyte IR-120B 、 硫酸sodium 作用下, 反应 21.0h, 生成 三聚乙二醇-乙酸
    参考文献:
    名称:
    Synthesis of 2-Oxo-Crown Ethers
    摘要:
    DOI:
    10.1055/s-1981-29326
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文献信息

  • IRAK DEGRADERS AND USES THEREOF
    申请人:Kymera Therapeutics, Inc.
    公开号:US20190192668A1
    公开(公告)日:2019-06-27
    The present invention provides compounds, compositions thereof, and methods of using the same.
    本发明提供了化合物、其组合物以及使用这些化合物的方法。
  • [EN] COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS<br/>[FR] COMPOSÉS ET PROCÉDÉS POUR LA DÉGRADATION CIBLÉE DE PROTÉINES CONTENANT UN BROMODOMAINE
    申请人:ARVINAS INC
    公开号:WO2017030814A1
    公开(公告)日:2017-02-23
    The present invention relates to bifunctional compounds, which find utility as modulators of targeted ubiquitination, especially inhibitors of a variety of polypeptides and other proteins which are degraded and/or otherwise inhibited by bifunctional compounds according to the present invention. In particular, the present invention is directed to compounds, which contain on one end a VHL ligand which binds to the ubiquitin ligase and on the other end a moiety which binds a target protein such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of that protein. The present invention exhibits a broad range of pharmacological activities associated with compounds according to the present invention, consistent with the degradation/inhibition of targeted polypeptides.
    本发明涉及双功能化合物,其作为靶向泛素化的调节剂具有实用性,特别是根据本发明抑制各种多肽和其他蛋白质的化合物。具体而言,本发明涉及一端含有结合泛素连接酶的VHL配体,另一端含有结合靶蛋白的基团的化合物,使得靶蛋白靠近泛素连接酶以促使该蛋白的降解(和抑制)。根据本发明的化合物表现出与靶向多肽的降解/抑制一致的广泛的药理活性。
  • Synthesis of novel amphiphilic spin probes with the paramagnetic doxyl group in the polar region
    作者:Stane Pajk、Slavko Pečar
    DOI:10.1016/j.tet.2008.11.016
    日期:2009.1
    The use of ESR and specially designed spin probes has led to major breakthroughs in understanding the complexity of biological membranes. Research has been focused mainly on molecular events within the lipid bilayer, and few probes have been designed for studying events in the extracellular space near the membrane surface. We have prepared a series of amphiphilic spin probes in which an ethylene glycol
    ESR和专门设计的旋转探针的使用在理解生物膜的复杂性方面带来了重大突破。研究主要集中在脂质双层内的分子事件,很少设计用于研究膜表面附近细胞外空间事件的探针。我们准备了一系列两亲性自旋探针,其中在疏水性锚和二甲苯基之间引入了乙二醇型亲水性间隔基,将二甲苯基置于细胞外空间中的膜上方。此外,包含氮氧化物基团的不成对电子的2pπ轨道将垂直于膜表面定向,从而使其在细胞寿命不同情况下对膜表面附近的结构和动力学性质的ESR研究更有用。
  • Supramolecular dendrimers: Unusual mesophases of ionic liquid crystals derived from protonation of DAB dendrimers with facial amphiphilic carboxylic acids
    作者:Andrew G. Cook、Ute Baumeister、Carsten Tschierske
    DOI:10.1039/b415892j
    日期:——
    Supramolecular liquid crystalline (LC) dendrimers were prepared by self-assembly of first to fifth generation amino terminated DAB dendrimers with facial amphiphilic carboxylic acids. These carboxylic acids are composed of three distinct incompatible segments, a rigid rod-like terphenyl core, two terminal alkyl chains and a polar lateral carboxylate group. The COOH groups were either directly connected to the terphenyl core or via oligo(oxyethylene) chains of different lengths. Depending upon the length of the polyether chain used, the dendrimer generation, the ratio of dendrimer to carboxylic acid or the temperature, a series of six different LC phases were observed. As well as a smectic phase (SmA), two different square columnar phases (Colsqu), a mesophase combining a layer structure with a hexagonal organisation of columns (channelled layer phase, ChLhex) and two additional mesophases (Colhex and M) with unknown structures were found. The square columnar phases are either composed of square cylinders (plane group p4mm) or a regular arrangement of square and triangular cylinders (plane group p4gm). In these dendrimer–carboxylic acid complexes protons are transferred from the COOH groups to the amino groups of the dendrimer, which gives rise to ionic complexes (dendroelectrolyte–amphiphile complexes). This concept allows the tailoring of the mesomorphic properties in a thermodynamically controlled self assembly process. The T-shaped ternary amphiphilic structure of the acid components and the incompatibility of the ionic species formed during the self assembly process are responsible for the formation of unconventional mesophase structures.
    通过自组装法,以氨基封端的DAB树状大分子(第1至第5代)与面型两亲性羧酸制备了超分子液晶树状大分子。这些羧酸包含三个不相容的不同部分,刚性的带状三联苯核心、两个末端的烷基链和一个极性侧羧酸盐基团。羧酸基团的羟基要么直接与三联苯核心相连,要么通过不同长度的聚氧乙烯链连接。根据所用的聚醚链的长度、树状大分子的代数、树状大分子与羧酸的比例或温度,观察到六种不同的液晶相。除了一个近晶相(SmA)外,还发现了两个不同的四方柱状相(Colsqu),一个结合了层状结构和柱的六角排列的中介相(沟道层状相,ChLhex),以及两个具有未知结构的中介相(Colhex和M)。四方柱状相既包含有四方柱(平面群p4mm),也包含规则排列的四方柱和三角柱(平面群p4gm)。在这些树状大分子-羧酸复合物中,质子从羧酸基团转移到树状大分子的氨基上,形成离子复合物(树状电解质-两亲复合物)。这个概念使得在中介相的自组装过程中能通过热力学控制来裁剪液晶性质。酸组分的T型三元两亲结构和自组装过程中形成的离子物种的不兼容性是形成非传统中介相结构的原因。
  • [EN] COMPOUNDS FOR THE MODULATION OF RIP2 KINASE ACTIVITY<br/>[FR] COMPOSÉS POUR LA MODULATION DE L'ACTIVITÉ DE LA KINASE RIP2
    申请人:GLAXOSMITHKLINE IP DEV LTD
    公开号:WO2017046036A1
    公开(公告)日:2017-03-23
    The present invention relates to compounds, compositions, combinations and medicaments containing said compounds and processes for their preparation. The invention also relates to the use of said compounds, combinations, compositions and medicaments, for example as inhibitors of the activity of RIP2 kinase, including degrading RIP2 kinase, the treatment of diseases and conditions mediated by the RIP2 kinase, in particular for the treatment of inflammatory diseases or conditions.
    本发明涉及含有所述化合物的化合物、组合物、组合物和药物以及其制备方法。该发明还涉及所述化合物、组合物、组合物和药物的用途,例如作为RIP2激酶活性的抑制剂,包括降解RIP2激酶,用于治疗由RIP2激酶介导的疾病和症状,特别是用于治疗炎症性疾病或症状。
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