3-(3-Chlorophenyl)-5-pyridin-2-yl-3,4-dihydropyrazole-2-carbothioamide | 1287764-75-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-(3-Chlorophenyl)-5-pyridin-2-yl-3,4-dihydropyrazole-2-carbothioamide
• CAS: 1287764-75-3
• 化学式: C₁₅H₁₃ClN₄S
• 分子量: 316.814
• InChiKey: MKFKZLIPHGZNQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  86.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-乙酰基吡啶 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 3-(3-Chlorophenyl)-5-pyridin-2-yl-3,4-dihydropyrazole-2-carbothioamide
  参考文献：
  名称：

  Novel 2-pyrazoline derivatives as potential anticonvulsant agents

  摘要：

  A series of new 2-pyrazoline derivatives has been synthesized by reacting 3-(substituted-phenyl)-1-pyridin-2-yl-propenones using two routes one using thiosemicarbazide and the other by hydrazine hydrate. The chemical structures were established by IR, Mass, H-1-NMR, C-13-NMR spectroscopic data, and elemental analysis. The anticonvulsant activity of the synthesized compounds was evaluated by the "maximal electroshock seizure" (MES) test and pentylenetetrazole (PTZ) test using male albino mice. Compounds 2e, 5-(naphthalene-1-yl)-3-(pyridine-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioic acid amide, and 3c, N-ethyl-5-(naphthalene-1-yl)-3-(pyridine-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide showed appreciable activity in the MES as well as PTZ test at all the evaluated doses.

  DOI：

  10.1007/s00044-013-0530-7

文献信息

• Synthesis, characterization and cytotoxicity of the gold(III) complexes of 4,5-dihydropyrazole-1-carbothioamide derivatives
  作者：Shuxiang Wang、Wenqing Shao、Hongdong Li、Cui Liu、Ke Wang、Jinchao Zhang

  DOI：10.1016/j.ejmech.2011.02.031

  日期：2011.5

  Eight new gold(III) complexes (1–8) of 5-aryl-3-(pyridin-2-yl)-4,5-dihydropyrazole-1-carbothioamide have been synthesized and characterized by elemental analysis, molar conductivity, IR, UV, 1H NMR, 13C NMR, MS, and thermal analysis techniques. The cytotoxicity was tested by MTT assay. The results indicate that the complexes 1–8 exert cytotoxic effects against HeLa and A549 cell lines. Moreover, the

  八个新金（III）络合物（1 - 8）的5-芳基-3-（吡啶-2-基）-4,5-二氢吡唑-1-硫代甲酰胺的已经合成和表征通过元素分析，摩尔电导率，IR， UV，1 H NMR，13 C NMR，MS和热分析技术。通过MTT测定法测试细胞毒性。结果表明，复合物1 – 8对HeLa和A549细胞株具有细胞毒作用。此外，复合物1，4，5，7和8与顺铂相比，对HeLa细胞系具有更高的细胞毒性。这表明苯上的取代基对细胞毒性具有重要影响。