(E)-5-(quinolin-2-yldiazenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one | 1432497-72-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (E)-5-(quinolin-2-yldiazenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
• CAS: 1432497-72-7
• 化学式: C₁₃H₉N₅OS
• 分子量: 283.313
• InChiKey: QPVBZMGUFDNPOG-ISLYRVAYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  86.26
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (E)-5-(quinolin-2-yldiazenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one 、 nickel(II) nitrate 在 氨 、 水 作用下， 生成
  参考文献：
  名称：

  Spectral and Eukaryotic DNA degradation studies for Ni(II), Pd(II), Pt(IV), Cu(II) and complexes derived from thiouracil derivative

  摘要：

  A derivative of thiouracil ligand was prepared. Ni(II), Pd(II), Pt(IV), Cu(II) and UO22+ complexes were prepared. The elemental and different spectral tools were used for their characterization. A binegative tetradentate mode is the general coordination behavior of the ligand towards all metal ions used. The structural geometries were varied from square-planer (Pt, Pd(II)), square-pyramidal (Cu(II)) and octahedral (UO22+). The geometry optimization implementing the hyperChem reveals that the Cu(II) complex is the most stable one. The thermogravimetric analysis supports the presence of solvent molecules attached with most complexes. The biological investigation was studied on different microorganisms as gram-positive, gram-negative and fungia. The Ni(II) complex shows the most toxic activity towards most organisms used. The degradation effect of DNA was studied by the use of investigated compounds and reveal that the Ni(II) and Pd(II) complexes are the most effective on the DNA degradation. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2013.01.030
• 作为产物：
  描述：

  2-硫脲嘧啶 、 2-氨基喹啉 在 盐酸 、 水 、 sodium nitrite 作用下， 生成 (E)-5-(quinolin-2-yldiazenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
  参考文献：
  名称：

  Spectral and Eukaryotic DNA degradation studies for Ni(II), Pd(II), Pt(IV), Cu(II) and complexes derived from thiouracil derivative

  摘要：

  A derivative of thiouracil ligand was prepared. Ni(II), Pd(II), Pt(IV), Cu(II) and UO22+ complexes were prepared. The elemental and different spectral tools were used for their characterization. A binegative tetradentate mode is the general coordination behavior of the ligand towards all metal ions used. The structural geometries were varied from square-planer (Pt, Pd(II)), square-pyramidal (Cu(II)) and octahedral (UO22+). The geometry optimization implementing the hyperChem reveals that the Cu(II) complex is the most stable one. The thermogravimetric analysis supports the presence of solvent molecules attached with most complexes. The biological investigation was studied on different microorganisms as gram-positive, gram-negative and fungia. The Ni(II) complex shows the most toxic activity towards most organisms used. The degradation effect of DNA was studied by the use of investigated compounds and reveal that the Ni(II) and Pd(II) complexes are the most effective on the DNA degradation. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2013.01.030