Methyl 2-[1-(pyrimidin-2-yl)ethylidene]hydrazine-1-carbodithioate | 276855-74-4

• 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: Methyl 2-[1-(pyrimidin-2-yl)ethylidene]hydrazine-1-carbodithioate
• 英文别名: methyl N-(1-pyrimidin-2-ylethylideneamino)carbamodithioate
• CAS: 276855-74-4
• 化学式: C₈H₁₀N₄S₂
• 分子量: 226.326
• InChiKey: KUZPSBJZMWYGRX-UHFFFAOYSA-N

物化性质

• 沸点：
  375.1±25.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Methyl 2-[1-(pyrimidin-2-yl)ethylidene]hydrazine-1-carbodithioate 、 1-(2-吡啶基)哌嗪 以 乙醇 为溶剂， 反应 24.0h， 以66%的产率得到4-pyridin-2-yl-N-(1-pyrimidin-2-ylethylideneamino)piperazine-1-carbothioamide
  参考文献：
  名称：

  Synthesis and anticancer activity of thiosemicarbazones

  摘要：

  Twenty-six thiosemincarbazones (III-1-III-26) were synthesized via three steps starting from hydrazine hydrate and carbon disulfide. The testing of anticancer activity of these compounds in vitro against P-388, A-549, and SGC-7901 shows that compounds III-15 and III-16 possess a higher inhibitory ability for P-388 and SGC-7901. Further testing shows that the value of IC50 of compound III-16 against SGC-7901 reaches to 0.032 mu M. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.01.048
• 作为产物：
  描述：

  肼基二硫代甲酸甲酯 、 2-乙酰基嘧啶 以 异丙醇 为溶剂， 反应 24.0h， 以81.8%的产率得到Methyl 2-[1-(pyrimidin-2-yl)ethylidene]hydrazine-1-carbodithioate
  参考文献：
  名称：

  Synthesis and anticancer activity of thiosemicarbazones

  摘要：

  Twenty-six thiosemincarbazones (III-1-III-26) were synthesized via three steps starting from hydrazine hydrate and carbon disulfide. The testing of anticancer activity of these compounds in vitro against P-388, A-549, and SGC-7901 shows that compounds III-15 and III-16 possess a higher inhibitory ability for P-388 and SGC-7901. Further testing shows that the value of IC50 of compound III-16 against SGC-7901 reaches to 0.032 mu M. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.01.048

文献信息

• Synthesis and anticancer activity of thiosemicarbazones
  作者：Wei-xiao Hu、Wei Zhou、Chun-nian Xia、Xi Wen

  DOI：10.1016/j.bmcl.2006.01.048

  日期：2006.4

  Twenty-six thiosemincarbazones (III-1-III-26) were synthesized via three steps starting from hydrazine hydrate and carbon disulfide. The testing of anticancer activity of these compounds in vitro against P-388, A-549, and SGC-7901 shows that compounds III-15 and III-16 possess a higher inhibitory ability for P-388 and SGC-7901. Further testing shows that the value of IC50 of compound III-16 against SGC-7901 reaches to 0.032 mu M. (C) 2006 Elsevier Ltd. All rights reserved.