3-acetylpyridine 4N-(2-pyridyl)thiosemicarbazone | 1360079-42-0

• 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-acetylpyridine 4N-(2-pyridyl)thiosemicarbazone
• 英文别名: Methyl 2-pyridyl ketone 4-[2-pyridyl]-3-thiosemicarbazone；1-pyridin-2-yl-3-[(E)-1-pyridin-3-ylethylideneamino]thiourea
• CAS: 1360079-42-0；1360741-96-3
• 化学式: C₁₃H₁₃N₅S
• 分子量: 271.346
• InChiKey: YXGMYKCAFKBZTB-LICLKQGHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  94.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-乙酰基吡啶 、 4-(2-吡啶基)氨基硫脲 以 乙醇 为溶剂， 以77.5%的产率得到3-acetylpyridine 4N-(2-pyridyl)thiosemicarbazone
  参考文献：
  名称：

  Transition metal complexes of 3-acetylpyridine ⁴ N-(2-pyridyl)thiosemicarbazone (HAPS); structural, spectroscopic, and biological studies

  摘要：

  This work examines transition metal ion complexes which have been synthesized from 3-acetylpyridine N-4-(2-pyridyl)thiosemicarbazone (HAPS) (1). [Cu(HAPS)(2)Cl-2] center dot H2O (2), [Hg(HAPS)(2)Cl-2] (3), [Ni(HAPS)Cl-2] center dot 2H(2)O (4), [UO2(APS)(2)] center dot 2H(2)O (5), [VO(HAPS)(2)]SO4 center dot H2O (6), and [Zn(HAPS)(2)Cl-2] (7) were characterized by elemental analysis, spectral (IR, H-1-NMR, and UV-Vis), magnetic, and molar conductance measurements. The biochemical studies showed that 2 and 3 have powerful and complete degradation on both DNA and protein. Complexes 2, 4, and 7 showed significant antioxidant properties, especially scavenging on superoxide and hydroxyl radicals. The antibacterial screening demonstrated that all studied complexes have maximum and broad range activities against Gram-positive and Gram-negative bacterial strains.

  DOI：

  10.1080/00958972.2012.658381

文献信息

• Transition metal complexes of 3-acetylpyridine ⁴ <i>N</i>-(2-pyridyl)thiosemicarbazone (HAPS); structural, spectroscopic, and biological studies
  作者：Usama El-Ayaan

  DOI：10.1080/00958972.2012.658381

  日期：2012.2.20

  This work examines transition metal ion complexes which have been synthesized from 3-acetylpyridine N-4-(2-pyridyl)thiosemicarbazone (HAPS) (1). [Cu(HAPS)(2)Cl-2] center dot H2O (2), [Hg(HAPS)(2)Cl-2] (3), [Ni(HAPS)Cl-2] center dot 2H(2)O (4), [UO2(APS)(2)] center dot 2H(2)O (5), [VO(HAPS)(2)]SO4 center dot H2O (6), and [Zn(HAPS)(2)Cl-2] (7) were characterized by elemental analysis, spectral (IR, H-1-NMR, and UV-Vis), magnetic, and molar conductance measurements. The biochemical studies showed that 2 and 3 have powerful and complete degradation on both DNA and protein. Complexes 2, 4, and 7 showed significant antioxidant properties, especially scavenging on superoxide and hydroxyl radicals. The antibacterial screening demonstrated that all studied complexes have maximum and broad range activities against Gram-positive and Gram-negative bacterial strains.