methyl N-[1-(4-methoxyphenyl)ethylideneamino]carbamodithioate | 26155-53-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: methyl N-[1-(4-methoxyphenyl)ethylideneamino]carbamodithioate
• CAS: 26155-53-3
• 化学式: C₁₁H₁₄N₂OS₂
• 分子量: 254.377
• InChiKey: OIXDQATZNAAWPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  91
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(2-吡啶基)哌嗪 、 methyl N-[1-(4-methoxyphenyl)ethylideneamino]carbamodithioate 以 乙醇 为溶剂， 以83.8%的产率得到4-Pyridin-2-yl-piperazine-1-carbothioic acid [1-(4-methoxy-phenyl)-eth-(E)-ylidene]-hydrazide
  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 、 对甲氧基苯乙酮 以 异丙醇 为溶剂， 生成 methyl N-[1-(4-methoxyphenyl)ethylideneamino]carbamodithioate
  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

• DE1934809
  申请人：——

  公开号：——

  公开（公告）日：——
• 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.