2-肼基-4-(三氟甲基)嘧啶盐酸盐 | 1012876-00-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2-肼基-4-(三氟甲基)嘧啶盐酸盐
• 英文名称: 2-hydrazino-4-(trifluoromethyl)pyrimidine hydrochloride
• CAS: 1012876-00-4
• 化学式: C₅H₅F₃N₄*ClH
• 分子量: 214.578
• InChiKey: KEHLXCRAOLOKBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  63.83
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-Chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde 、 2-肼基-4-(三氟甲基)嘧啶盐酸盐 以 乙醇 为溶剂， 生成 N-[(E)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]-4-(trifluoromethyl)pyrimidin-2-amine;hydrochloride
  参考文献：
  名称：

  New Antitumor Imidazo[2,1-b]thiazole Guanylhydrazones and Analogues¹

  摘要：

  The synthesis of new antitumor 6-substituted imidazothiazole guanylhydrazones is described. Moreover, a series of compounds with a different basic chain at the 5 position were prepared. Finally, the replacement of the thiazole ring in the imidazothiazole system was also considered. All the new compounds prepared were submitted to the NCI cell line screen for evaluation of their antitumor activity. A few selected compounds were submitted to additional biological studies concerning effects on the cell cycle, apoptosis, and mitochondria.

  DOI：

  10.1021/jm701246g