2-acetyl pyridine N(4)-1-(2-pyridyl)-piperazinyl thiosemicarbazone | 71555-54-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-acetyl pyridine N(4)-1-(2-pyridyl)-piperazinyl thiosemicarbazone
• 英文别名: 4-pyridin-2-yl-piperazine-1-carbothioic acid (1-pyridin-2-yl-ethylidene)-hydrazide；4-(2-Pyridinyl)-1-piperazinethiocarboxylic acid 2-[1-(2-pyridinyl)ethylidene]hydrazide；4-(2-Pyridyl)-1-piperazinethiocarboxylic acid 2-[1-(2-pyridyl)ethylidene]hydrazide；4-(2-Pyridinyl)-1-piperazinecarbothioic acid, [1-(2-pyridinyl)ethylidene]hydrazide, dihydrochloride；4-pyridin-2-yl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide
• CAS: 71555-54-9
• 化学式: C₁₇H₂₀N₆S
• 分子量: 340.452
• InChiKey: DMHZABFBJXEDGZ-UHFFFAOYSA-N

物化性质

• 熔点：
  174-176 °C(Solv: ethanol (64-17-5); chloroform (67-66-3))
• 沸点：
  525.7±60.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  88.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-acetyl pyridine N(4)-1-(2-pyridyl)-piperazinyl thiosemicarbazone 在 sodium hydroxide 、 sodium hydrogen selenide 作用下， 以 乙醇 为溶剂， 反应 40.08h， 生成 4-pyridin-2-yl-N-(1-pyridin-2-ylethylidene)piperazine-1-carbohydrazonoselenoic acid
  参考文献：
  名称：

  Klayman; Scovill; Bartosevich, European Journal of Medicinal Chemistry, 1981, vol. 16, # 4, p. 317 - 320

  摘要：

  DOI：
• 作为产物：
  描述：

  2-乙酰基吡啶 以 乙醇 、 异丙醇 为溶剂， 生成 2-acetyl pyridine N(4)-1-(2-pyridyl)-piperazinyl thiosemicarbazone
  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, characterization, crystal structures, in vitro and in vivo antitumor activity of palladium(II) and zinc(II) complexes with 2-formyl and 2-acetyl pyridine N(4)-1-(2-pyridyl)-piperazinyl thiosemicarbazone
  作者：Dimitra Kovala-Demertzi、Alexandros Alexandratos、Athanassios Papageorgiou、Paras Nath Yadav、Panagiotis Dalezis、Mavroudis A. Demertzis

  DOI：10.1016/j.poly.2008.04.009

  日期：2008.9

  The present paper includes synthesis and spectral characterization of the novel prepared palladium(II) and zinc(II) complexes with 2-formyl pyridine N(4)-1-(2-pyridyl)-piperazinyl thiosemicarbazone, HFo4Npypipe, 1 and the 2-acetyl pyridine N(4)-1-(2-pyridyl)-piperazinyl thiosemicarbazone, HAc4Npypipe, 2. The Pd(II) complexes [PdCl(Fo4Npypipe)], 3, [PdCl(Ac4Npypipe)], 4 and the Zn(II) complexes [ZnCl2(Fo4Npypipe)]

  本文包括新型制备的钯（II）和锌（II）与2-甲酰基吡啶N（4）-1-（2-吡啶基）-哌嗪基硫代半碳酰胺，HFo4Npypipe，1和2-的配合物的合成和光谱表征乙酰吡啶N（4）-1-（2-吡啶基）-哌嗪基硫半碳酸盐，HAc4Npypipe，2。Pd（II）配合物[PdCl（Fo4Npypipe）]，3，[PdCl（Ac4Npypipe）]，4和Zn（II）配合物[ZnCl 2（Fo4Npypipe）]，5和[ZnCl 2（Ac4Npypipe）]，6具有通过元素分析和光谱学研究来表征。配合物[PdCl（Fo4Npippy）]，3和[PdCl（Ac4Npippy）]的晶体结构，通过单晶X射线衍射已经解决了图4中的问题。报告了配合物的电子，IR，UV / Vis和NMR光谱数据。的细胞毒活性的结果1 - 6已经被评估在体外针对三种人癌细胞系的细胞：MCF-7，T24，A-549和小鼠L-92
• 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.
• Klayman; Scovill; Bartosevich, European Journal of Medicinal Chemistry, 1981, vol. 16, # 4, p. 317 - 320
  作者：Klayman、Scovill、Bartosevich、Mason

  DOI：——

  日期：——