1,1-Diethyl-3-[phenyl-[2-(piperidine-1-carbothioyl)hydrazinyl]methylidene]thiourea | 1189360-08-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1,1-Diethyl-3-[phenyl-[2-(piperidine-1-carbothioyl)hydrazinyl]methylidene]thiourea
• CAS: 1189360-08-4
• 化学式: C₁₈H₂₇N₅S₂
• 分子量: 377.578
• InChiKey: OOWYEMBBSPARTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  tri-n-butylammonium monophosphate 、 1,1-Diethyl-3-[phenyl-[2-(piperidine-1-carbothioyl)hydrazinyl]methylidene]thiourea 以 甲醇 为溶剂， 以76%的产率得到
  参考文献：
  名称：

  Synthesis, Structural Characterization, and Biological Evaluation of Oxorhenium(V) Complexes with a Novel Type of Thiosemicarbazones Derived from N-[N′,N′-Dialkylamino(thiocarbonyl)]benzimidoyl Chlorides

  摘要：

  Reactions of N-[N',N'-diethylamino(thiocarbonyl)]benzimidoyl chloride with 4,4-dialkylthiosemicarbazides give a novel class of thiosemicarbazides/thiosemicarbazones, H2L, which causes a remarkable reduction of cell growth in in vitro experiments. These strong antiproliferative effects are also observed for oxorhenium(V) complexes of the general composition [ReOCl(L)], which are formed by reactions of the potentially tridentate ligands with (NBu4)[ReOCl4]. A systematic substitution of the alkyl groups in the thiosemicarbazone building blocks of the ligands do not significantly influence the biological activity of the metal complexes, while the replacement of the chloro ligand by a PPh3 ligand (by the replacement of the oxo unit by a nitrido ligand) completely terminated the cytotoxicity of the metal complexes.

  DOI：

  10.1021/ic901160v

文献信息

• Organometallic gold(<scp>iii</scp>) complexes with hybrid SNS-donating thiosemicarbazone ligands: cytotoxicity and anti-Trypanosoma cruzi activity
  作者：P. I. da S. Maia、Z. A. Carneiro、C. D. Lopes、C. G. Oliveira、J. S. Silva、S. de Albuquerque、A. Hagenbach、R. Gust、V. M. Deflon、U. Abram

  DOI：10.1039/c6dt04307k

  日期：——

  features like relatively short Au⋯H contacts between the methylene protons of the Hdamp ligand and the gold(III) ions. Preliminary biological studies on the uncoordinated compounds H2L1 and their gold complexes indicate considerable cytotoxicity for the [AuIII(Hdamp)(L1)]Cl complexes against MCF-7 cells. The in vitro trypanocidal activity was evaluated against the intracellular form of Trypanosoma cruzi

  稳定organogold（III）的组合物的化合物[金III（Hdamp）（L1）]氯从的反应[AUCL形成2（潮湿）]用H 2 L1（潮湿- = dimethylaminomethylphenyl; H 2 L1 = Ñ ' - （二乙基氨基甲硫基）阳离子络合物可以在[Au III（damp）（L1）]化合物形成下通过与弱碱反应中和。产品的结构显示出令人感兴趣的特征，例如Hdamp配体的亚甲基质子与金（III）离子之间的Au-H接触时间相对较短。不配位化合物H 2的初步生物学研究L1及其金复合物表明[Au III（Hdamp）（L1）] Cl复合物对MCF-7细胞具有相当大的细胞毒性。的体外杀锥虫活性对在细胞内的形式进行评价克氏锥虫。有机金属配合物显示出显着的活性，这取决于配体的硫代半碳环素结构单元的烷基取代基。阳离子[Au III（Hdamp）（L1）] Cl络合物的一个代表，其中H