1-(溴甲基)-4-[2-[4-(溴甲基)苯氧基]乙氧基]苯 | 91401-08-0

• 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: 1-(溴甲基)-4-[2-[4-(溴甲基)苯氧基]乙氧基]苯
• 英文名称: 1,2-Di(p-bromomethylphenoxy)ethane
• 英文别名: 1,2-bis(4-bromomethylphenoxy)ethane；4-(bromomethyl)-1-[(2-{[4-(bromomethyl)phenyl]oxy}ethyl)oxy]benzene；1,2-Bis-(4-brommethyl-phenoxy)-aethan；1,1'-[Ethane-1,2-diylbis(oxy)]bis[4-(bromomethyl)benzene]；1-(bromomethyl)-4-[2-[4-(bromomethyl)phenoxy]ethoxy]benzene
• CAS: 91401-08-0
• 化学式: C₁₆H₁₆Br₂O₂
• 分子量: 400.11
• InChiKey: LCJPBGDVYCWUMJ-UHFFFAOYSA-N

物化性质

• 熔点：
  182-183 °C(Solv: benzene (71-43-2))
• 沸点：
  481.6±40.0 °C(Predicted)
• 密度：
  1.554±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(溴甲基)-4-[2-[4-(溴甲基)苯氧基]乙氧基]苯 、 4-吡咯烷基吡啶 以 乙腈 为溶剂， 反应 72.0h， 生成
  参考文献：
  名称：

  1,1'-（（（乙烷-1,2-二基双（氧））双（4,1-亚苯基））双（亚甲基））双吡啶和溴化双喹啉衍生物的1 H和13 C NMR光谱分配。

  摘要：

  DOI：

  10.1002/mrc.4468
• 作为产物：
  描述：

  1-甲基-4-[2-(4-甲基苯氧基)乙氧基]苯 在 四氯化碳 、 N-溴代丁二酰亚胺(NBS) 、 过氧化苯甲酰 作用下， 生成 1-(溴甲基)-4-[2-[4-(溴甲基)苯氧基]乙氧基]苯
  参考文献：
  名称：

  Kyi, Huaxue Xuebao/Acta Chimica Sinica, 1959, vol. 25, p. 100,102

  摘要：

  DOI：

文献信息

• New Compounds with Bioisosteric Replacement of Classic Choline Kinase Inhibitors Show Potent Antiplasmodial Activity
  作者：Francisco José Aguilar-Troyano、Archimede Torretta、Gianluca Rubbini、Alberto Fasiolo、Pilar María Luque-Navarro、María Paz Carrasco-Jimenez、Guiomar Pérez-Moreno、Cristina Bosch-Navarrete、Dolores González-Pacanowska、Emilio Parisini、Luisa Carlota Lopez-Cara

  DOI：10.3390/pharmaceutics13111842

  日期：——

  inhibiting Plasmodium falciparum Choline Kinase and therefore to reduce choline uptake, which is essential for the development of the parasite. Of the 41 bioisosteric compounds reported herein, none showed any influence of the linker on the antimalarial and enzyme inhibitory activity, whereas an effect of the type of cationic heads used could be observed. SARs determined that the thienopyrimidine substituted

  在抗击疟疾的过程中，需要制定新的策略以避免寄生虫对药物和其他预防障碍产生抗药性。最近，基于抑制寄生虫从宿主吸收起始材料的宿主导向疗法方法提供了极好的结果。在本文中，我们建议合成能够抑制恶性疟原虫的生物等排化合物胆碱激酶，因此可以减少胆碱摄取，这对寄生虫的发育至关重要。在本文报道的 41 种生物等排化合物中，没有一个显示接头对抗疟和酶抑制活性有任何影响，而可以观察到所用阳离子头类型的影响。SAR 确定在 4 中被吡咯烷取代的噻吩并嘧啶是最好的支架，与所选接头无关。亲脂性的降低似乎提高了抗疟活性，但对酶的抑制产生了相反的影响。虽然具有类似良好抑制值的强效化合物与所提出的作用机制有关，但其中一些仍然存在差异，需要进一步研究以确定其特定的分子靶点。
• Chi, Huaxue Xuebao/Acta Chimica Sinica, 1959, vol. 25, p. 100,101,103
  作者：Chi

  DOI：——

  日期：——
• Self-Complementary [2]Catenanes and Their Related [3]Catenanes
  作者：Beatriz Cabezon、Jianguo Cao、Françisco M. Raymo、J. Fraser Stoddart、Andrew J. P. White、David J. Williams

  DOI：10.1002/1521-3765(20000616)6:12<2262::aid-chem2262>3.0.co;2-g

  日期：2000.6.16

  Three [3]catenanes with cavities large enough to accommodate aromatic guests have been designed and synthesized (yields = 5-20 %) by means of kinetically controlled self-assembly processes The X-ray structural analysis of one of three [3]catenanes confirmed the presence of a rectangular cavity (dimensions = 7 x 11 Angstrom) lined by pi-electron-rich recognition sites and hydrogen-bond acceptor groups. Ln spite of their apparently ideal recognition features, none of these [3]catenanes bind guests incorporating a pi-electron-deficient bipyridinium unit. However, the template-directed syntheses of the [3]catenanes also produce, in yields of 2-23%, [2]catenanes incorporating a 1,5-dioxynaphtho[38]crown-10 interlocked with a bipyridinium-based tetracationic cyclophane. The X-ray structural analyses of two of these [2]catenanes revealed that a combination of [pi ... pi] and [C-H ... pi] interactions is responsible for the formation of supramolecular homodimers in the solid state. H-1 NMR spectroscopic investigations of the four [2]catenanes demonstrated that supramolecular homodimers are also formed (K-a-17-31 M-1, T = 185 K) in (CD3)(2)CO solutions. Dynamic H-1 NMR spectroscopy revealed that the 1,5-dioxynaphtho[38]crown-10 and tetracationic cyclophane components in the four [2]catenanes and in the three [3]catenanes circumrotate: (Delta G(c)* = 9-14 kcal mol(-1)) through each other's cavity in (CD3)(2)CO. Similarly, the 1,5-dioxynaphthalene and the bipyridinium ring systems rotate (Delta G(c)* = 10-14 kcal mol(-1)) about their [O ... O] and [N ... N] axes, respectively, in solution.
• Ionene elastomers
  申请人：MINNESOTA MINING AND MANUFACTURING COMPANY

  公开号：EP0228803B1

  公开（公告）日：1992-09-16
• [EN] SYMMETRICAL POLAR INHIBITORS OF CHOLINE KINASE WITH ANTI-TUMOUR ACTIVITY<br/>[ES] INHIBIDORES POLARES SIMÉTRICOS DE COLINA CINASA CON ACTIVIDAD ANTITUMORAL<br/>[FR] INHIBITEURS POLAIRES SYMÉTRIQUES DE CHOLINE KINASE À ACTIVITÉ ANTITUMORALE
  申请人：UNIV GRANADA

  公开号：WO2015185780A1

  公开（公告）日：2015-12-10

  La presente invención se refiere a compuestos polares simétricos de bispiridinio, bisquinuclidinio y bisquinolinio con un linker derivado del1,2-bis(p-toliloxi)etano inhibidores de colina cinasa, su síntesis y su uso como medicamento antitumoral.