dimethylglyoxal 2-phenylhydrazone thiosemicarbazone | 78797-15-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: dimethylglyoxal 2-phenylhydrazone thiosemicarbazone
• 英文别名: [(E)-[(3E)-3-(phenylhydrazinylidene)butan-2-ylidene]amino]thiourea
• CAS: 78797-15-6
• 化学式: C₁₁H₁₅N₅S
• 分子量: 249.34
• InChiKey: PQWMRHYXOQAKCV-UQNWOCKMSA-N

物化性质

• 熔点：
  220-221 °C(Solv: ethanol (64-17-5))
• 沸点：
  391.0±25.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  107
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  dimethylglyoxal 2-thiosemicarbazone 、 苯肼 以 乙醇 为溶剂， 反应 1.0h， 以63.8%的产率得到dimethylglyoxal 2-phenylhydrazone thiosemicarbazone
  参考文献：
  名称：

  N*-N*-S* Tridentate ligand system as potential antitumor agents

  摘要：

  Compounds containing an N*-N*-S* tridentate ligand were synthesized and tested for antitumor activity against P-388 lymphocytic leukemia in mice. Of these, only 2,2'-bipyridyl-6-carbothioamide (1a) showed antitumor activity at relatively high dosage levels. Compound 1a was also evaluated against L-1210 and S180 cells in culture and found to have significant activity.

  DOI：

  10.1021/jm00142a012

文献信息

• ANTONINI, I.;CLAUDI, F.;CRISTALLI, G.;FRANCHETTI, P.;GRIFANTINI, M.;MARTE+, J. MED. CHEM., 1981, 24, N 10, 1181-1184
  作者：ANTONINI, I.、CLAUDI, F.、CRISTALLI, G.、FRANCHETTI, P.、GRIFANTINI, M.、MARTE+

  DOI：——

  日期：——
• N*-N*-S* Tridentate ligand system as potential antitumor agents
  作者：Ippolito Antonini、Francesco Claudi、Gloria Cristalli、Palmarisa Franchetti、Mario Grifantini、Sante Martelli

  DOI：10.1021/jm00142a012

  日期：1981.10

  Compounds containing an N*-N*-S* tridentate ligand were synthesized and tested for antitumor activity against P-388 lymphocytic leukemia in mice. Of these, only 2,2'-bipyridyl-6-carbothioamide (1a) showed antitumor activity at relatively high dosage levels. Compound 1a was also evaluated against L-1210 and S180 cells in culture and found to have significant activity.