[PdCl2(2,2’-dipyridylamine-κN,N′)] | 111693-13-1

• 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: [PdCl2(2,2’-dipyridylamine-κN,N′)]
• 英文别名: cis-dichloro(2,2'-dipyridylamine)palladium(II)；{Pd(dpa)Cl2}；[PdCl₂(2,2’-dipyridylamine-κN,N′)]；[Pd(2,2'-dipyridylamine)Cl₂]；[PdCl2(2,2’-dipyridylamine)]；[Pd(dpa)Cl₂]；[Pd(2,2'-dipyridylamine)Cl2]
• CAS: 111693-13-1
• 化学式: C₁₀H₉Cl₂N₃Pd
• 分子量: 348.528
• InChiKey: AWYFYKOXWXKEKB-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

• 作为反应物：
  描述：

  [PdCl2(2,2’-dipyridylamine-κN,N′)] 在 histidylglycine 作用下， 以 水 为溶剂， 生成 bis(2,2'-dipyridylamine)palladium(II)
  参考文献：
  名称：

  A study of the reactions of methionine- and histidine-containing peptides with palladium(II) complexes: The key role of steric crowding on palladium(II) in the selective cleavage of the peptide bond

  摘要：

  H-1 NMR spectroscopy was applied to study the reactions of palladium(II) complexes, cis-[Pd(dpa)Cl-2] and cis-[Pd(dpa)(H2O)(2)](2+) (dpa is 2,2'-dipyridylamine acting as a bidentate ligand) with the dipeptides methionylglycine (Met-Gly) and histidylglycine (His-Gly), and the A-acetylated derivatives of these dipeptides, MeCOMet-Gly and MeCOHis-Gly. All reactions were carried out in the pH range 2.0-2.5 with equimolar amounts of the palladium(II) complex and the peptide at two different temperatures, 25 and 60 degrees C. In the reactions of cis-[Pd(dpa)Cl-2] and cis-[Pd(dpa)(H2O)(2)](2+) with Met-Gly and His-Gly, no hydrolysis of the peptide bond was observed. The final product in these reactions was the [Pd(dpa)(2)](2+) complex. The square-planar structure of this complex was confirmed by X-ray analysis. The reaction of the cis-[Pd(dpa)(H2O)(2)](2+) complex with the MeCOHis-Gly and MeCOMet-Gly peptides under the previously mentioned experimental conditions was remarkably selective in the cleavage of the amide bond involving the carboxylic group of methionine in the side chain. The modes of coordination of cis-[Pd(dpa)Cl-2] and cis-[Pd(dpa)(H2O)(2)](2+) in the reactions with the non-acetylated peptides and the total steric inhibition of the hydrolytic reaction between cis-[Pd(dpa)(H2O)(2)](2+) and MeCOHis-Gly can be attributed to the steric bulk of the palladium(II) complex. This finding should be taken into consideration in designing new palladium(II) complexes for the regioselective cleavage of peptides and proteins. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.11.048
• 作为产物：
  描述：

  2,2'-二吡啶胺 、 sodium tetrachloropalladate(II) 以 乙醇 、 水 为溶剂， 反应 1.0h， 以80%的产率得到[PdCl2(2,2’-dipyridylamine-κN,N′)]
  参考文献：
  名称：

  Pd(II) 复合物与 N,O-供体配体作为新型强效抗癌剂的合成、表征、DNA 结合、细胞毒性和分子对接方法

  摘要：

  摘要 通过 Na2PdCl4 与 2, 2' 的有机化合物反应合成了一种新型的 2,2'-二吡啶胺 8-羟基喹啉合钯 (II) 氯化物 [Pd(dpa)(8Q)]Cl，命名为 PDQ。 -联吡啶胺 (D) 和 8-羟基喹啉 (Q)。此外，制备的复合物通过元素分析、FTIR、NMR 光谱和电导率测量进行表征。发现表征结果与所提出的 PDQ 结构一致，DFT 方法证实了实验结果。复合物对人慢性粒细胞白血病 (K562) 癌细胞的细胞毒性评估表明，PDQ (22 μM) 的 CC50 值与卡铂相当，并且优于一些被报道为潜在抗癌剂的钯复合物。而且，PDQ-DNA 结合特性通过紫外-可见光、荧光、CD 光谱和生理条件下的粘度测量广泛进行。进行分子对接技术以提供有关结合模式的更多见解。总体而言，所有证据表明，PDQ 以嵌入模式和静态机制自发地与 DNA 结合。

  DOI：

  10.1016/j.molstruc.2020.128212

文献信息

• New palladium(<scp>ii</scp>) and platinum(<scp>ii</scp>) 5,5-diethylbarbiturate complexes with 2-phenylpyridine, 2,2′-bipyridine and 2,2′-dipyridylamine: synthesis, structures, DNA binding, molecular docking, cellular uptake, antioxidant activity and cytotoxicity
  作者：Ceyda Icsel、Veysel T. Yilmaz、Yunus Kaya、Hale Samli、William T. A. Harrison、Orhan Buyukgungor

  DOI：10.1039/c5dt00728c

  日期：——

  Novel palladium(II) and platinum(II) complexes of 5,5-diethylbarbiturate (barb) with 2-phenylpyridine (Hppy), 2,2′-bipyridine (bpy) and 2,2′-dipyridylamine (dpya) have been prepared and characterized by elemental analysis, IR, UV-Vis, NMR and ESI-MS. Single-crystal diffraction measurements show that complex 1 consists of binuclear [Pd2(μ-barb-κN,O)2(ppy-κN,C)2] moieties, while complexes 3–5 are mononuclear

  制备了5,5-二乙基巴比妥酸酯（倒钩）与2-苯基吡啶（Hppy），2,2'-联吡啶（bpy）和2,2'-联吡啶胺（dpya）的新型钯（II）和铂（II）配合物并通过元素分析，IR，UV-Vis，NMR和ESI-MS进行表征。单晶衍射测量显示，复合物1由双核[Pd 2（μ-barb-κN，O）2（ppy-κN，C）2 ]部分组成，而复合物3-5为单核，[M（barb-κN ）2（L-κN，N'）]（L = bpy或dpya）。6的组成为[Pt（dpya-κN，N'）2 ] [Ag（barb-κN）2 ] 2 ·4H 2假设O和2具有[Pt（barb-κN）（Hppy-κN）（ppy-κN，C）]·3H 2 O的结构。发现该复合物通过非共价键表现出显着的DNA结合亲和力结合模式，根据分子对接研究。另外，复合物1和2显示出与超螺旋的pUC19质粒DNA的强结合。进行细胞摄取研究以评估所选复合物的
• The copper-free Sonogashira cross-coupling reaction promoted by palladium complexes of nitrogen-containing chelating ligands in neat water at room temperature
  作者：Hong Zhong、Jinyun Wang、Liuyi Li、Ruihu Wang

  DOI：10.1039/c3dt52970c

  日期：——

  2′-dipyridylamine was used as a supporting ligand in the palladium-catalyzed Sonogashira cross-coupling reaction. The reactions between aryl iodides and terminal alkynes with different steric hindrance can be efficiently performed in the absence of copper in neat water at room temperature. The superior catalytic performance of the catalytic system was attributed to water solubility of the palladium 2,2′-dipyridylamine

  在钯催化的Sonogashira交叉偶联反应中，使用市售的2,2'-联吡啶胺作为支撑配体。在室温下，在纯净水中不存在铜的情况下，可以有效地进行芳基碘化物和具有不同空间位阻的末端炔烃之间的反应。催化体系的优异催化性能归因于钯2,2'-二吡啶胺配合物的水溶性。在交叉偶联反应后，形成了具有小尺寸和窄尺寸分布的钯纳米颗粒。
• Neutral and cationic palladium(II) and platinum(II) complexes of 2,2′-dipyridylamine with saccharinate: Syntheses, spectroscopic, structural, fluorescent and thermal studies
  作者：Emel Guney、Veysel T. Yilmaz、Orhan Buyukgungor

  DOI：10.1016/j.ica.2010.03.077

  日期：2010.8

  Abstract Four palladium(II) and platinum(II) complexes of 2,2′-dipyridylamine (dpya) with saccharinate (sac), cis-[Pd(dpya)(sac)2]·H2O (1), cis-[Pt(dpya)(sac)2]·H2O (2), [Pd(dpya)2](sac)2·2H2O (3) and [Pt(dpya)2](sac)2·2H2O (4), have been synthesized and characterized by elemental analysis, IR, NMR, TG-DTA and X-ray diffraction. In 1 and 2, the metal ions are coordinated by two N-bonded sac ligands, and two

  摘要2,2'-联吡啶胺（dpya）与糖精（sac），顺式[Pd（dpya）（sac）2]·H2O（1），顺式[Pt]的四种钯（II）和铂（II）配合物（dpya）（sac）2]· （2），[Pd（dpya）2]（sac）2·2 （3）和[Pt（dpya2）2（sac）2·2 （4）通过元素分析，IR，NMR，TG-DTA和X射线衍射合成和表征。在1和2中，金属离子由两个N键结合的囊配体和dpya的两个氮原子配位，形成一个中性的方形平面配位球，而在3和4中，金属离子由两个dpya配体进行配位。产生正方形平面的阳离子物质，该阳离子物质被两个囊状抗衡离子所稳定。1和2的单核物质通过弱分子间N–H⋯O，C–H⋯O和π⋯π相互作用而相互作用，从而形成三维网络，而3和4的离子则通过N–H⋯N和OW–H⋯O氢键连接成一维链。在250°C加热时，消除dpya配体后，3和4的固体阳离子络合物转变
• Cisplatin analogues with 2,2′-dipyridylamine ligands and their reactions with DNA model nucleobases
  作者：Michael J Rauterkus、Sarah Fakih、Christian Mock、Ina Puscasu、Bernt Krebs

  DOI：10.1016/s0020-1693(02)01540-2

  日期：2003.7

  Six novel platinum(II) and palladium(II) complexes with */ cisplatin */ analogous configuration were prepared and could be obtained as single crystals for X-ray structure analyses. The ligand system based on 2,2?-dipyridylamine was extended stepwise by adding alkyl chains to the bridging nitrogen atom, starting from pure 2,2?-dipyridylamine to (2,2?-dipyridyl)-n -butylamine. In the case of [Pt(dpa)Cl2]

  制备了六种具有* /顺铂* /类似构型的新型铂（II）和钯（II）配合物，它们可以作为单晶获得，用于X射线结构分析。通过将烷基链加到桥接的氮原子上，逐步扩展基于2，2′-二吡啶基胺的配体体系，从纯的2，2′-二吡啶基胺到（2，2′-二吡啶基）-正丁胺开始。在[Pt（dpa）Cl2]和[Pt（dpma）Cl2]的情况下，研究了水解复合物分别与模型核碱基1-甲基胸腺嘧啶和1-甲基尿嘧啶的反应。所得的Pt（II）/ dpa /甲基胸苷和Pt（II）/ dpa / dpma /甲基尿嘧啶络合物也可以通过X射线衍射进行表征。铂化合物与模型核碱基形成双核络合物，通过其N3和O4供体原子充当二级桥连配体。双（m -1-甲基胸腺嘧啶-N3 -O4）双[2,2？二吡啶基氨基铂（II）]六氟磷酸硝酸高氯酸盐二水合物（10）（三斜晶系，空间群P / 1）头对头包含模型核碱基。取向，而双（m -1-甲基尿嘧啶-N3-O4）[2
• Gold, Silver and Palladium Complexes with the 2,2′‐Dipyridylamine Ligand
  作者：Mercedes Burgos、Olga Crespo、M. Concepción Gimeno、Peter G. Jones、Antonio Laguna

  DOI：10.1002/ejic.200200666

  日期：2003.6

  Reaction of the 2,2′-dipyridylamine (Py2NH) ligand with various gold and silver starting products leads to three- or four-coordinate complexes. The structure of compound [Ag(NHPy2)(PPh3)]OTf shows weak interactions which produce bands of molecules parallel to the z axis. Other hydrogen bonds of the type C−H···O serve to link the ribbons. The derivative PPN[Au(Py2N)2] has also been obtained using PPN[Au(acac)2]

  2,2'-二吡啶胺 (Py2NH) 配体与各种金和银起始产物的反应产生三或四配位配合物。化合物 [Ag(NHPy2)(PPh3)]OTf 的结构显示出弱相互作用，产生平行于 z 轴的分子带。C-H···O 类型的其他氢键用于连接带。还使用 PPN[Au(acac)2] [PPN = 双（三苯基膦酰基）亚氨基，acac = 乙酰丙酮化物] 作为起始产物使配体去质子化，从而获得衍生物 PPN[Au(Py2N)2]。钯配合物 [PdCl2(Py2NH)2] 也有报道。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003)