| 1174196-53-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1174196-53-2；109782-58-3
• 化学式: C₂₄H₂₀N₆NiS₄
• 分子量: 579.417
• InChiKey: QNWNLRAOONYYFB-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  thiophene-2-carboxaldehyde-4-phenylthiosemicarbazone 、 nickel(II) chloride hexahydrate 以 乙醇 、 水 为溶剂， 以90%的产率得到
  参考文献：
  名称：

  Umapathy, P.; Budhkar, A. P.; Dorai, C. S., Journal of the Indian Chemical Society, 1986, vol. 63, p. 714 - 721

  摘要：

  DOI：

文献信息

• Design, synthesis and characterization of novel Ni(II) and Cu(II) complexes as antivirus drug candidates against SARS-CoV-2 and HIV virus
  作者：  Aprajita、Mukesh Choudhary

  DOI：10.1016/j.molstruc.2022.133114

  日期：2022.9

  describes the structure-based design, synthesis and anti-virus effect of two new coordination complexes, a Ni(II) complex [Ni(L)2] (1) and a Cu(II) complex [Cu(L)2] (2) of (E)-N-phenyl-2-(thiophen-2-ylmethylene) hydrazine-1-carbothioamide(HL). The synthesized ligand was coordinated to metal ions through the bidentate-N, S donor atoms. The newly synthesized complexes were characterized by various spectroscopic

  本文介绍了两种新型配位配合物Ni(II)配合物[Ni(L) 2 ] ( 1 )和Cu(II)配合物[Cu(L) 2 ]的基于结构的设计、合成和抗病毒效果。] ( 2 ) (E)-N-苯基-2-(噻吩-2-基亚甲基)肼-1-硫代甲酰胺( HL )。合成的配体通过双齿N、S供体原子与金属离子配位。通过各种光谱和物理化学方法、粉末 XRD 分析以及 X 射线晶体学研究对新合成的配合物进行了表征。Ni(II) 配合物 [Ni(L) 2 ]( 1 ) 在正交晶系中结晶，空间群为Pbca，晶胞中有四个分子 (a = 9.857(3) Å, b = 7.749(2) Å, c = 32.292(10) Å, α = 90°, β = 90°, γ = 90°, Z= 4) 并揭示了扭曲的方形平面几何形状。在 Ni(II) 络合物 [Ni(L) 2 ] ( 1 )的晶体结构中探索了赫什菲尔德曲面和二维指纹
• Singh, Balwan; Misra, Harihar, Journal of the Indian Chemical Society, 1986, vol. 63, p. 1069 - 1070
  作者：Singh, Balwan、Misra, Harihar

  DOI：——

  日期：——
• Synthesis, structure investigation and biological evaluation of 2-thiophene N(4)-phenylthiosemicarbazone and its three metal derivatives
  作者：Zilang Wang、Yuanyuan Wu、Yan Fu、Mingxue Li、Yanxue Tai、Yanke Li

  DOI：10.1016/j.molstruc.2015.07.031

  日期：2015.11

  A 2-thiophene N(4)-phenylthiosemicarbazone (HL) ligand and its three metal derivatives [CuL2] (1), [NiL2](2) and [PdL2] (3) are synthesized and characterized by elemental analysis, IR spectra, mass spectra as well as the single-crystal X-ray diffraction. Compounds 1-3 have the identical architectures in which the Schiff bases LT ions act as the bibasic chelating ligands with thiolate S and imine N atoms as the donor sites. Cytotoxic studies carried out in vitro against human liver hepatocellular carcinoma HepG2 cells and human normal hepatocyte QSG7701 cells show that I can be able to inhibit cell proliferation growth. Compound 1 promotes a dose-dependent apoptosis in HepG2 cells. The potential structure-activity relationships among HL and 1-3 are further investigated by Hirshfeld surface combining fingerprint plots. (C) 2015 Elsevier B.V. All rights reserved.