| 1418010-97-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1418010-97-5
• 化学式: C₁₂H₁₅N₃OS
• 分子量: 249.337
• InChiKey: COMKKFCHKQFRFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.05
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  41.98
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-(2-chloro-acetylamino)-thiazole-4-carboxylic acid ethyl ester 、 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 24.0h， 以66%的产率得到ethyl 2-[2-(1-(4-methoxyphenylamino)-4,5-dimethyl-1H-imidazol-2-ylthio)acetamido]thiazole-4-carboxylate
  参考文献：
  名称：

  Synthesis of 2-[4,5-dimethyl-1-(phenylamino)-1H-imidazol-2-ylthio]-N-(thiazole-2-yl)acetamide derivatives and their anticancer activities

  摘要：

  In this work, 2-(4,5-dimethyl-1-(phenylamino)-1H-imidazol-2-ylthio)-N-(thiazol-2-yl) acetamide derivatives were synthesized by reacting 4,5-dimethyl-1-(phenylamino)-1H-imidazole-2(3H)-thione derivatives with some 2-chloro-N-(thiazol-2-yl)acetamide compounds. The structure of synthesized compounds was confirmed by IR, H-1 NMR, and mass spectra. Anticancer activities of the compounds selected by the National Cancer Institute were investigated by testing against a panel of 60 different human tumor cell lines derived from nine neoplastic cancer types. Compounds 7, 13, and 23 exhibited reasonable anticancer activity against the screened cancer types with relatively low GI(50) values. The compounds showed high activity against melanoma-type cell lines.

  DOI：

  10.1007/s00044-012-0411-5
• 作为产物：
  描述：

  sodium thiocyanide 、 3-氯-2-丁酮 、 (4-甲氧基苯基)肼 在 溶剂黄146 作用下， 生成
  参考文献：
  名称：

  Synthesis and initial biological evaluation of substituted 1-phenylamino-2-thio-4,5-dimethyl-1H-imidazole derivatives

  摘要：

  In this work, some new 2-[(4,5-dimethyl-1-(arylamino)-1H-imidazol-2-yl)thio]-1-(aryl) ethanone derivatives were synthesized and investigated for their antibacterial, antifungal and anticancer activities. Toxicity of the most effective compounds was established by performing Brine-Shrimp lethality assay. Antifungal activity of the compounds was found to be higher than antibacterial and anticancer activities of the compounds. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.10.024