Palladium, (2-((2-pyridinyl-kappaN)methylene)hydrazinecarbothioamidato-kappaN2,kappaS)(2-(2-pyridinylmethylene)hydrazinecarbothioamidato-kappaS)-, (SP-4-4)- | 218617-37-9

• 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: Palladium, (2-((2-pyridinyl-kappaN)methylene)hydrazinecarbothioamidato-kappaN2,kappaS)(2-(2-pyridinylmethylene)hydrazinecarbothioamidato-kappaS)-, (SP-4-4)-
• 英文别名: palladium(2+);N'-[(E)-pyridin-2-ylmethylideneamino]carbamimidothioate;N'-[(E)-pyridin-2-ylmethylideneamino]carbamimidothioate
• CAS: 218617-37-9
• 化学式: C₁₄H₁₄N₈PdS₂
• 分子量: 464.871
• InChiKey: SSEOCVMMUPOTIS-SVLYXBQSSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.55
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  129
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (吡啶-2-基亚甲基氨基)硫脲 、 potassium tetrachloropalladate(II) 在 NH₃ 作用下， 以 水 为溶剂， 以77%的产率得到Palladium, (2-((2-pyridinyl-kappaN)methylene)hydrazinecarbothioamidato-kappaN2,kappaS)(2-(2-pyridinylmethylene)hydrazinecarbothioamidato-kappaS)-, (SP-4-4)-
  参考文献：
  名称：

  Palladium(II) and platinum(II) complexes of pyridine-2-carbaldehyde thiosemicarbazone with potential biological activity. Synthesis, structure and spectral properties. Extended network via hydrogen bond linkages of [Pd(PyTsc)Cl]

  摘要：

  The reactions of Li2PdCl4 and Na2PtCl4 with pyridine-2-carbaldehyde thiosemicarbazone, HPyTsc, afforded the complexes [Pd(PyTsc)Cl], [Pd(PyTsc)(2)] and [Pt(PyTsc)Cl], [Pt(PyTsc)(2)]. The new complexes have been characterized by elemental analyses and spectroscopic studies. A crystal structure of [Pd(PyTsc)Cl] shows that the anion of PyTsc coordinates in a planar conformation to the central palladium(II) through the pyridyl N, azomethine N and thiolato S atoms. The planar molecules are linked into polymeric chains by N-(HN)-N-.. and N-(HS)-S-.. hydrogen bonding. The protonation constants of the ligand. K-a1 and K-a2, were determined by spectrophotometry and the logarithms of their values were found to be equal to 11.58+/-0.05 and 3.94+/-0.02 respectively. Correlation of the antitumor activity of these complexes to the structure and to reduction potential is reported. The compounds [Pt(PyTsc)(2)] and [Pd(PyTsc)(2)] were found to exhibit the higher in vivo antitumor activity and the lower cytotoxicity. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(98)00386-6

文献信息

• Palladium(II) and platinum(II) complexes of pyridine-2-carbaldehyde thiosemicarbazone with potential biological activity. Synthesis, structure and spectral properties. Extended network via hydrogen bond linkages of [Pd(PyTsc)Cl]
  作者：Dimitra Kovala-Demertzi、John R. Miller、Nikolaos Kourkoumelis、Sotiris K. Hadjikakou、Mavroudis A. Demertzis

  DOI：10.1016/s0277-5387(98)00386-6

  日期：1999.2

  The reactions of Li2PdCl4 and Na2PtCl4 with pyridine-2-carbaldehyde thiosemicarbazone, HPyTsc, afforded the complexes [Pd(PyTsc)Cl], [Pd(PyTsc)(2)] and [Pt(PyTsc)Cl], [Pt(PyTsc)(2)]. The new complexes have been characterized by elemental analyses and spectroscopic studies. A crystal structure of [Pd(PyTsc)Cl] shows that the anion of PyTsc coordinates in a planar conformation to the central palladium(II) through the pyridyl N, azomethine N and thiolato S atoms. The planar molecules are linked into polymeric chains by N-(HN)-N-.. and N-(HS)-S-.. hydrogen bonding. The protonation constants of the ligand. K-a1 and K-a2, were determined by spectrophotometry and the logarithms of their values were found to be equal to 11.58+/-0.05 and 3.94+/-0.02 respectively. Correlation of the antitumor activity of these complexes to the structure and to reduction potential is reported. The compounds [Pt(PyTsc)(2)] and [Pd(PyTsc)(2)] were found to exhibit the higher in vivo antitumor activity and the lower cytotoxicity. (C) 1999 Elsevier Science Ltd. All rights reserved.