[Pd(bpy)(H₂O)₂](NO₃)₂ | 113705-73-0

• 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: [Pd(bpy)(H₂O)₂](NO₃)₂
• 英文别名: [Pd(2,2'-bipyridine)(H₂O)₂](NO₃)₂；[Pd(bipy)(H2O)2](NO3)2；{(2,2'-bipyridine)Pd(H2O)2}(NO3)2；[Pd(bipy)(H₂O)₂](NO₃)₂
• CAS: 113705-73-0
• 化学式: C₁₀H₁₂N₂O₂Pd*2NO₃
• 分子量: 422.647
• InChiKey: GSHHABXURVWJGT-UHFFFAOYSA-N

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

• 作为反应物：
  描述：

  [Pd(bpy)(H₂O)₂](NO₃)₂ 、 μ-para-xylidinebisdithiocarbamate disodium salt 以 丙酮 为溶剂， 反应 5.0h， 以0.572 g的产率得到[Pd₂(bpy)₂(μ-p-xyli-bdtc)](NO₃)₂
  参考文献：
  名称：

  Multi-spectroscopic and electrochemical approaches of the interaction between a new binuclear agent and DNA

  摘要：

  DOI：

  10.1080/07391102.2016.1229635
• 作为产物：
  描述：

  dichloro(2,2'-bipyridine)palladium(II) 在 水 、 silver nitrate 作用下， 以 水 为溶剂， 生成 [Pd(bpy)(H₂O)₂](NO₃)₂
  参考文献：
  名称：

  Hay, Robert W.; Basak, Arup K., Journal of the Chemical Society, Dalton Transactions, 1982, p. 1819 - 1824

  摘要：

  DOI：

文献信息

• Palladium and platinum complexes of folic acid as new drug delivery systems for treatment of breast cancer cells
  作者：Chenyang He、Mostafa Heidari Majd、Fereshteh Shiri、Somaye Shahraki

  DOI：10.1016/j.molstruc.2020.129806

  日期：2021.4

  by intercalation between DNA strands and inhibition of DNA replication. Among the various factors, two important reasons like inhibition of apoptosis by anti-apoptotic mechanisms and inability to distinguish normal cells from cancerous led us to synthesize two new complexes of platinum and palladium containing folic acid (FA). Following, the cytotoxic effects of complexes were studied using MTT assay

  顺铂通过插入DNA链之间并抑制DNA复制来作为治疗各种癌症的药物。在各种因素中，两个重要的原因（如通过抗凋亡机制抑制凋亡和无法区分正常细胞与癌性）导致我们合成了两种新的含铂和钯的叶酸（FA）配合物。随后，使用MTT法研究了MCF-7细胞中复合物的细胞毒性作用，然后通过实时RT-PCR技术阐明了Bak1，Bclx和Caspase-3基因的表达水平。而且，通过分子对接描述了叶酸受体结合位点中复合物的行为。所有实验都证实，FA的存在可以改善MCF-7乳腺癌细胞的细胞毒性，凋亡和顺铂细胞摄取。
• Novel 2,2′-bipyridine palladium(II) complexes with glycine derivatives: synthesis, characterization, cytotoxic assays and DNA-binding studies
  作者：Maryam Saeidifar、Hassan Mansouri-Torshizi、Adele Divsalar、Ali Akbar Saboury

  DOI：10.1007/s13738-013-0237-1

  日期：2013.10

  The two water-soluble designed palladium(II) complexes, [Pd(bpy)(pip-Ac)]NO3 and [Pd(bpy)(mor-Ac)]NO3, (where bpy is 2,2′-bipyridine, pip-Ac is 1-piperidineacetato and mor-Ac is 4-morpholineacetato) have been synthesized and characterized by elemental analyses, molar conductivity measurements and spectroscopic methods (FT-IR, 1H NMR, UV–Vis). The complexes have been tested for in vitro cytotoxic activity against human breast cancer cell line, T47D. The binding of these complexes with DNA has been investigated by absorption spectroscopy, fluorescence titration spectra, EB displacement and gel chromatography. The results suggest that the complexes can bind to DNA cooperatively through a static mechanism at low concentrations (~0.57 μM). The thermodynamic parameters indicated that the van der Waals and hydrogen binding might play a major role in the interaction of these complexes with DNA.

  两种水溶性设计钯（II）配合物[Pd(bpy)(pip-Ac)]NO3 和[Pd(bpy)(mor-Ac)]NO3（其中 bpy 为 2,2′-联吡啶、pip-Ac为 1-哌啶乙酰基，mor-Ac为 4-吗啉乙酰基）进行了合成，并通过元素分析、摩尔电导率测量和光谱方法（傅立叶变换红外光谱、1H NMR、紫外可见光）对其进行了表征。这些复合物对人类乳腺癌细胞系 T47D 进行了体外细胞毒性测试。通过吸收光谱、荧光滴定光谱、EB 置换和凝胶色谱法研究了这些复合物与 DNA 的结合情况。结果表明，这些复合物在低浓度（~0.57 μM）时可通过静态机制与 DNA 合作结合。热力学参数表明，范德华结合和氢结合可能在这些复合物与 DNA 的相互作用中起主要作用。
• Probing the biomolecular (DNA/BSA) interaction by new Pd(II) complex via in-depth experimental and computational perspectives: synthesis, characterization, cytotoxicity, and DFT approach
  作者：Mehran Feizi-Dehnayebi、Effat Dehghanian、Hassan Mansouri-Torshizi

  DOI：10.1007/s13738-022-02519-6

  日期：2022.7

  effect. DNA and BSA binding of the complex were explored through multi-spectroscopic (UV–Vis, fluorescence, FRET, and CD) and non-spectroscopic (gel electrophoresis, viscosity and docking simulation) techniques. The obtained findings demonstrated that the complex strongly interacts with CT-DNA by hydrophobic interactions and possesses medium interaction with BSA via hydrogen bond and van der Waals forces

  科学家们不应忘记，癌症导致的死亡率远高于流感或冠状病毒（COVID-19）等其他疾病，因此该领域的研究具有重要意义。因此，通式 [Pd(bpy)(proli-dtc)]NO3 的新型亲水性钯 (II) 配合物，其中 bpy 和 proli-dtc 分别是 2,2'-联吡啶和吡咯啉二硫代氨基甲酸酯配体，利用光谱和分析程序合成和表征。密度泛函理论 (DFT) 计算也使用 B3LYP 方法在气相中进行。DFT 和光谱分析表明 Pd(II) 原子存在于正方形平面几何形状中。研究了复合物的 HOMO/LUMO 分析、量子化学参数和 MEP 表面，以获得关于化合物性质的直觉。分配系数和水溶性测定表明，该化合物的亲油性和亲水性均优于顺铂。对 K562 癌细胞的 50% 抑制浓度 (IC50) 值进行了评估，所得结果显示出有希望的细胞毒作用。通过多光谱（UV-Vis、荧光、FRET 和 CD）和非光谱（凝
• Synthesis, Characterization, and Cytotoxicity Studies of a Novel Palladium(II) Complex and Evaluation of DNA-Binding Aspects
  作者：Maryam Saeidifar、Hassan Mansouri-Torshizi、Yahya Palizdar、Adeleh Divsalar、Ali Akbar Saboury

  DOI：10.1080/15257770.2013.790552

  日期：2013.1

  A new water-soluble palladium(II) complex, [Pd(bpy)(pyr-Ac]NO3 in which bpy = 2,2-bipyridine and pyr-Ac is 1-pyrrolacetato, has been synthesized and characterized by spectroscopic methods (H-1 NMR, FT-IR, and UV-Vis), molar conductivity measurements, and elemental analysis. The results obtained from elemental analysis and conductivity measurements confirmed the stoichiometry of ligand and its complex while the characteristic peaks in UV-Vis and FT-IR and resonance peaks in H-1 NMR spectra confirmed the formation of ligand frameworks around the palladium ion. The 50% cytotoxic concentration (Ic(50)) of new synthesized Pd(II) complex was determined by using MTT assay against human breast cancer cell line, T47D. The interaction between the Pd(II) complex with calf thymus DNA was studied at different temperatures by using absorption spectroscopy, fluorescence titration spectra, ethidium bromide displacement, and gel chromatography studies. The results obtained by absorption spectroscopy revealed that the Pd(II) complex can bind to DNA cooperatively at low concentrations. Several binding parameters in the above interaction were calculated by the fluorescence quenching method. The quenching mechanism was suggested to be the static quenching. The thermodynamic parameters: enthalpy change (H degrees), entropy change (S degrees), and Gibbs free energy (G degrees), showed that van der Waals and hydrogen binding are predominant intermolecular forces between Pd(II) complex and DNA. These results were also consistent with the results obtained from Scatchard's plots.
• Synthesis and crystal structure of mononuclear complex of Pd(II) with cyclic thiourea
  作者：E. M. Nikandrov、A. A. Grigor’eva、A. V. Eremin、D. O. Ruzanov、V. V. Gurzhii、A. N. Belyaev

  DOI：10.1134/s1070363215080368

  日期：2015.8