| 1342276-59-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 1342276-59-8
• 化学式: C₂₃H₂₀N₄
• 分子量: 352.439
• InChiKey: IKBBOGBGCXNPBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.07
• 重原子数：
  27.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  42.21
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  1-phenyl-2-(2-phenyl-1H-imidazol-1-yl)ethan-1-one 、 苯肼 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 15.0h， 生成
  参考文献：
  名称：

  Structure–cytotoxicity relationship of a novel series of miconazole-like compounds

  摘要：

  In the current study, two novel classes of the carboacyclic nucleosides having miconazole-like scaffolds as imidazole- and pyrimidine-based compounds were examined for their cytotoxic properties. The aim was to establish a relation between cytotoxic activity and nature of the synthetic compounds. While Escherichia coli (DH5 alpha) and human erythromyeloblastoid leukemia cell line (K562) were the target cells, depending on the type of substitution made, ranges of antibacterial and antineoplastic activities were observed. Also the electron-donating and electron-accepting properties of the ligands were proved to play a crucial role in their cytotoxic activities. Accordingly, the substitutions associated with the marked improvement of cytotoxic activities can be considered as the significant point in construction of new generation of either antibacterial or antineoplastic agents.

  DOI：

  10.1007/s00044-011-9716-z