4-bromomethyl(2-(2-methoxyethoxy)ethoxy)benzene | 143127-80-4

• 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: 4-bromomethyl(2-(2-methoxyethoxy)ethoxy)benzene
• 英文别名: 4-(1,4,7-trioxaoctyl)benzylbromide；1-(bromomethyl)-4-[2-(2-methoxyethoxy)ethoxy]benzene
• CAS: 143127-80-4
• 化学式: C₁₂H₁₇BrO₃
• 分子量: 289.169
• InChiKey: MRZXMMOUIYBBLO-UHFFFAOYSA-N

物化性质

• 沸点：
  357.3±32.0 °C(Predicted)
• 密度：
  1.304±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-bromomethyl(2-(2-methoxyethoxy)ethoxy)benzene 在 三乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 8-(4-(4-((p-(2-(2-methoxyethoxy)ethoxy)phenyl)methyl)-1-piperazinylthio)phenyl)-1-propyl-3,7-dihydropurine-2,6-dione
  参考文献：
  名称：

  A_2B Adenosine Receptor Antagonists with Picomolar Potency

  摘要：

  The A(2B) adenosine receptor (A(2B)AR) was proposed as a novel target for the (immuno)therapy of cancer since A(2B)AR blockade results in antiproliferative, antiangiogenic, antimetastatic, and immunostimulatory effects. In this study, we explored the structure-activity relationships of xanthin-8-yl-benzenesulfonamides mainly by introducing a variety of linkers and substituents attached to the sulfonamide residue. A new, convergent strategy was established, which facilitated the synthesis of the target compounds. Many of the new compounds exhibited subnanomolar affinity for the A(2B)AR combined with high selectivity. Functional groups were introduced, which will allow the attachment of dyes and other reporter groups. 8-(4((4-(4-Bromophenyl)piperazin-1-yl)sulfonyl)phenyl)-1-propylxanthine (34, PSB-1901) was the most potent A(2B)-antagonist (K-i 0.0835 nM, K-B 0.0598 nM, human A(2B)AR) with >10 000-fold selectivity versus all other AR subtypes. It was similarly potent and selective at the mouse A(2B)AR, making it a promising tool for preclinical studies. Computational studies predicted halogen bonding to contribute to the outstanding potency of 34.

  DOI：

  10.1021/acs.jmedchem.9b00071
• 作为产物：
  描述：

  1-溴-2-(2-甲氧基乙氧基)乙烷 在 lithium aluminium tetrahydride 、 三溴化磷 、 potassium carbonate 、 potassium iodide 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 二氯甲烷 为溶剂， 反应 50.0h， 生成 4-bromomethyl(2-(2-methoxyethoxy)ethoxy)benzene
  参考文献：
  名称：

  WO2008/141731

  摘要：

  公开号：

文献信息

• HIV protease inhibitors having polyether substituents
  申请人：MERCK & CO. INC.

  公开号：EP0487270A2

  公开（公告）日：1992-05-27

  Polyether derivatives of the form,         A-G-B-B-J    wherein G is a dipeptide isostere substituted with a polyether, B an amino acid or analog thereof, and J a small terminal group are described. These compounds are useful in the inhibition of DIV protease, the prevention or treatment of infection by HIV and the treatment of AIDS, either as compounds, pharmaceutically acceptable salts, pharmaceutical composition ingredients, whether or not in combination with other antivirals, immunomodulators, antibiotics or vaccines. Methods of treating AIDS and methods of preventing or treating infection by HIV are also described.

  描述了形式为A-G-B-B-J的聚醚衍生物，其中G是用聚醚取代的二肽同分异构体，B是氨基酸或其类似物，J是一个小的末端基团。这些化合物在抑制DIV蛋白酶、预防或治疗HIV感染以及治疗艾滋病方面具有用途，无论是作为化合物、药学上可接受的盐、药物组成成分，还是与其他抗病毒药物、免疫调节剂、抗生素或疫苗组合使用。还描述了治疗艾滋病的方法以及预防或治疗HIV感染的方法。
• Polyviologen Dendrimers as Hosts and Charge-Storing Devices
  作者：Célia M. Ronconi、J. Fraser Stoddart、Vincenzo Balzani、Massimo Baroncini、Paola Ceroni、Carlo Giansante、Margherita Venturi

  DOI：10.1002/chem.200800773

  日期：2008.9.19

  showed that each viologen unit in the dendritic structures becomes associated with an eosin dianion. Electrochemical (in MeCN) and photosensitization (in CH(2)Cl(2)) experiments revealed that only a fraction of the viologen units present in the dendritic structures can be reduced. This fraction corresponds to the number of viologen units present in the outer shells of the dendrimers. The reasons for incomplete

  设计并合成了两个树枝状大分子，它们包含1,3,5-三取代的苯并oid核，并在其分支中除了亲水（芳氧基）末端基团外还掺入了9个和21个紫精（4,4'-联吡啶）单元。为了进行比较，还研究了含有一个和两个紫精单元的模型化合物。这些聚阳离子树状聚合物在稀释的CH（2）Cl（2）解决方案中与红色染料曙红的二价阴离子形式形成牢固的主体-客体复合物。基于荧光测量的滴定实验表明，树突结构中的每个紫精单位都与曙红二价阴离子缔合。电化学（在MeCN中）和光敏化（在CH（2）Cl（2）中）实验表明，仅一部分树状结构中存在的紫精单元可以还原。该分数对应于树枝状聚合物的外壳中存在的紫精单位的数量。讨论了不完全收费池的原因。与以大体积的四芳基甲烷基团封端的聚紫罗兰树胶树枝状聚合物的行为进行比较，并进行了先前的研究，从而可以阐明端基在氧化还原和宿主性质中所起的作用。
• HETEROARYL SUBSTITUTED PYRAZOLE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS
  申请人：Boyer Stephen

  公开号：US20100249085A1

  公开（公告）日：2010-09-30

  This invention relates to novel heteroaryl substituted pyrazole compounds, pharmaceutical compositions containing such compounds and the use of those compounds or compositions for treating hyper-proliferative and/or angiogenesis disorders, as a sole agent or in combination with other active ingredients or therapeutic measures.

  本发明涉及新型杂环取代吡唑化合物、含有这些化合物的药物组合物以及用于治疗过度增殖和/或血管生成障碍的这些化合物或组合物的用途，作为单一药物或与其他活性成分或治疗措施联合使用。
• Heteroaryl substituted pyrazole derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis
  申请人：Boyer Stephen

  公开号：US08796253B2

  公开（公告）日：2014-08-05

  This invention relates to novel heteroaryl substituted pyrazole compounds, pharmaceutical compositions containing such compounds and the use of those compounds or compositions for treating hyper-proliferative and/or angiogenesis disorders, as a sole agent or in combination with other active ingredients or therapeutic measures.

  本发明涉及新型杂环取代吡唑化合物、含有这些化合物的药物组合物以及将这些化合物或组合物用于治疗过度增殖和/或血管生成障碍的方法，作为单一药物或与其他活性成分或治疗措施联合使用。
• US8796253B2
  申请人：——

  公开号：US8796253B2

  公开（公告）日：2014-08-05