4-(2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazol-1-yl)benzoic acid | 1172126-57-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazol-1-yl)benzoic acid
• 英文别名: 4-[2-(4-chlorohenyl)-4,5-diphenylimidazole-1-yl]-benzoic acid；4-[2-(4-Chlorophenyl)-4,5-diphenylimidazol-1-yl]benzoic acid
• CAS: 1172126-57-6
• 化学式: C₂₈H₁₉ClN₂O₂
• 分子量: 450.924
• InChiKey: LUNZXWGXDPOCPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-(p-chlorobenzylidene)-p-aminobenzoic acid 、 联苯甲酰 在 ammonium acetate 作用下， 反应 0.35h， 以86%的产率得到4-(2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazol-1-yl)benzoic acid
  参考文献：
  名称：

  微波辅助，无溶剂的平行合成方法，阐明了一些具有生物学意义的新型四芳基咪唑的反应机理

  摘要：

  Abstract The microwave assisted, solvent free, parallel syntheses of title compounds is described in this protocol. Twelve new tetraaryl imidazoles, which are incorporated with the chemotherapeutic pharmacophores, have been synthesized by adopting one pot multicomponent reaction. Attempt has been made to investigate the mechanism behind the formation of tetraaryl imidazoles by product identification method. The synthesized compounds were analyzed by physical and analytical data. The synthesized compounds were evaluated for their antibacterial, antitubercular, and short‐term anticancer activity. Compound 13 was found to be the candidate compound to investigate further for its potential anticancer activity. J. Heterocyclic Chem., 46, 278 (2009).

  DOI：

  10.1002/jhet.68

文献信息

• Design, synthesis and anticonvulsant activity of new imidazolidindione and imidazole derivatives
  作者：Adel A. Marzouk、Amr K.A. Bass、Montaser Sh. Ahmed、Antar A. Abdelhamid、Yaseen A.M.M. Elshaier、Asmaa M.M. Salman、Omar M. Aly

  DOI：10.1016/j.bioorg.2020.104020

  日期：2020.8

  New imidazolidindiones and tetra-substituted imidazole derivatives were designed, synthesized, and evaluated for the anticonvulsant activity through pentylenetetrazole (PTZ)-induced seizures and maximal electroshock (MES) tests using valproate sodium and phenytoin sodium as reference drugs, respectively. Most of the target compounds showed excellent activity against pentylenetetrazole (PTZ)-induced

  通过戊戊酸钠和苯妥英钠分别作为参考药物，设计并合成了新的咪唑烷二酮和四取代的咪唑衍生物，并通过戊烯四唑（PTZ）诱发的癫痫发作和最大电击（MES）试验评估了其抗惊厥活性。大多数目标化合物对戊烯四唑（PTZ）引起的癫痫发作均表现出优异的活性，而对MES的活性则为中等至无。化合物3d，4e，11b和11e在PTZ模型中显示出比丙戊酸钠更高的活性（120％）。如旋转脚架试验所示，几乎所有化合物均未显示神经毒性。研究了目标化合物的理化性质和药代动力学特征的估计。通过不同的光谱方法和元素分析对目标化合物的化学结构进行了表征。