1-(2-((1H-benzo[d]imidazol-2-yl)methylthio)-5-cyano-6-phenylpyrimidin-4-yl)thiosemicarbazide | 1229027-88-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1-(2-((1H-benzo[d]imidazol-2-yl)methylthio)-5-cyano-6-phenylpyrimidin-4-yl)thiosemicarbazide
• 英文别名: [[2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-cyano-6-phenylpyrimidin-4-yl]amino]thiourea
• CAS: 1229027-88-6
• 化学式: C₂₀H₁₆N₈S₂
• 分子量: 432.533
• InChiKey: KFQZMRDOENTTGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  186
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  氨基硫脲 在 三乙胺 作用下， 以 乙醇 为溶剂， 以80%的产率得到1-(2-((1H-benzo[d]imidazol-2-yl)methylthio)-5-cyano-6-phenylpyrimidin-4-yl)thiosemicarbazide
  参考文献：
  名称：

  Novel benzimidazole–pyrimidine conjugates as potent antitumor agents

  摘要：

  As a continuation to our previous work in synthesizing antitumor benzimidazoles, a series of 2-((1H-benzo[d]imidazol-2-yl)methylthio)-4-(substituted)-6-phenylpyrimidine-5-carbonitriles was synthesized. Evaluation of the synthesized compounds for their in vitro cytotoxic activity against twelve cell lines namely, Cervical carcinoma (KB), Ovarial carcinoma (SK OV-3), CNS cancer (SF-268), Non small lung cancer (NCI H460), Colonadenocarcinoma (RKOP27), Leukaemia (HL60, U937, K562), Melanoma (G361, SK-MEL-28) and Neuroblastoma (GOTO, NB-1) revealed their marked potency when compared with known anticancer drugs.

  DOI：

  10.1016/j.ejmech.2010.02.011

文献信息

• Novel benzimidazole–pyrimidine conjugates as potent antitumor agents
  作者：Heba T. Abdel-Mohsen、Fatma A.F. Ragab、Mostafa M. Ramla、Hoda I. El Diwani

  DOI：10.1016/j.ejmech.2010.02.011

  日期：2010.6

  As a continuation to our previous work in synthesizing antitumor benzimidazoles, a series of 2-((1H-benzo[d]imidazol-2-yl)methylthio)-4-(substituted)-6-phenylpyrimidine-5-carbonitriles was synthesized. Evaluation of the synthesized compounds for their in vitro cytotoxic activity against twelve cell lines namely, Cervical carcinoma (KB), Ovarial carcinoma (SK OV-3), CNS cancer (SF-268), Non small lung cancer (NCI H460), Colonadenocarcinoma (RKOP27), Leukaemia (HL60, U937, K562), Melanoma (G361, SK-MEL-28) and Neuroblastoma (GOTO, NB-1) revealed their marked potency when compared with known anticancer drugs.