Pd(pic)Cl₂ | 93285-40-6

• 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(pic)Cl₂
• 英文别名: Pd(2-aminomethylpyridine)Cl₂；dichloropalladium;pyridin-2-ylmethanamine
• CAS: 93285-40-6
• 化学式: C₆H₈Cl₂N₂Pd
• 分子量: 285.469
• InChiKey: CDGYRRFJINXYMZ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -5.45
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  38.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Pd(pic)Cl₂ 、 重水 在 AgNO₃ 作用下， 以 重水 为溶剂， 生成 [Pd(2-picolylamine)(D2O)2](2+)
  参考文献：
  名称：

  Rau, Tobias; Shoukry, Mohamed; Van Eldik, Rudi, Inorganic Chemistry, 1997, vol. 36, # 7, p. 1454 - 1463

  摘要：

  DOI：
• 作为产物：
  描述：

  (2-picolylamine)(1,1-cyclobutanedicarboxylato)palladium(II) 以 水 为溶剂， 生成 Pd(pic)Cl₂
  参考文献：
  名称：

  Rau, Tobias; Shoukry, Mohamed; Van Eldik, Rudi, Inorganic Chemistry, 1997, vol. 36, # 7, p. 1454 - 1463

  摘要：

  DOI：

文献信息

• Heteroleptic enantiopure Pd(<scp>ii</scp>)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity
  作者：Nazanin Kordestani、Hadi Amiri Rudbari、Isabel Correia、Andreia Valente、Leonor Côrte-Real、Mohammad Khairul Islam、Nicola Micale、Jason D. Braun、David E. Herbert、Nikolay Tumanov、Johan Wouters、Mohammed Enamullah

  DOI：10.1039/d1nj01491a

  日期：——

  electronic circular dichroism (ECD) spectroscopy, complemented by DFT/TDDFT modelling. To investigate the effect of chirality and different halogen substituents on the anticancer activity of the complexes, the cytotoxic activity of all fourteen complexes was tested in the human breast cancer cell lines MDA-MB-231 and MCF-7 at 24 h using the colorimetric MTT assay. Also, the cell death mechanism was assessed

  七对对映体钯配合物[Pd（pic）（R或S）-N -1-（苯基）乙基-2,4-X 1，X 2-水杨基铝酸酯）] NO 3，[Pd（pic）（R或S）] NO 3（X 1 = X 2 = Cl，Br，I，H; X 1 / X 2 = Br / Cl），是通过对映体纯的卤素取代的席夫碱（R或S）-合成的。N -1-（苯基）乙基-2,4-X 1，X 2-水杨基亚胺与[Pd（pic）Cl 2]（pic = 2-picolylamine）。配合物的组成和结构通过FT-IR，1 H NMR和13 C NMR光谱，元素分析和X射线晶体学确认。使用紫外可见吸收和电子圆二色性（ECD）光谱，结合DFT / TDDFT建模，研究了所报告配合物的电子结构。为了研究手性和不同卤素取代基对复合物抗癌活性的影响，使用比色MTT在24小时的人乳腺癌细胞系MDA-MB-231和MCF-7中测试了全部十四种复合物的细胞毒活性。分析。此外，使用膜联蛋白V
• Interaction of bio-relevant thio-ether and thiols with dinuclear Pd(<scp>ii</scp>) complex: kinetics, mechanism, bioactivity in aqueous medium and molecular docking
  作者：Koyel Misra、Goutam Kr Ghosh、Ishani Mitra、Subhajit Mukherjee、Venkata P. Reddy B.、Wolfgang Linert、Bashkim Misini、Jagadeesh C. Bose K、Sudit Mukhopadhyay、Sankar Ch Moi

  DOI：10.1039/c4ra14881a

  日期：——

  Third order kinetics of bio-relevant thiols and thio-ether with dinuclear Pd(ii) complex possessing anticancer and antibacterial properties.

  具有抗癌和抗菌性能的双核Pd（II）配合物与生物相关硫醇和硫醚的三阶动力学。
• Complex-formation reactions and stability constants for mixed-ligand complexes of diaqua(2-picolylamine)palladium(ii) with some bio-relevant ligands
  作者：Ahmed A. El-Sherif、Mohamed M. Shoukry、Rudi van Eldik

  DOI：10.1039/b212104b

  日期：2003.3.24

  groups, were investigated. Stoichiometry and stability constants for the complexes formed are reported. The results show the formation of 1 : 1 complexes with amino acids and dicarboxylic acids. The effect of chelate ring size of the dicarboxylic acid complexes on their stability constants was examined. Peptides form both 1 : 1 complexes and the corresponding deprotonated amide species. Structural effects

  [Pd（Pic）（H 2 O）2 ] 2+ （pic =2-哌啶胺）与选定的生物相关 配体，其中包含不同的官能团，进行了研究。报告了所形成的配合物的化学计量和稳定性常数。结果表明形成了1：1的配合物氨基酸 和 二羧酸。螯合环大小的影响二羧酸 检查了复合物的稳定性常数。 肽类 同时形成1：1复合物和相应的去质子化 酰胺物种。的结构效应肽 在 酰胺对去质子化进行了研究。DNA嘧啶类成分，例如尿嘧啶， 尿苷， 胸苷 和 胸腺嘧啶，形成1：1和1：2的复合物，而嘌呤成分，例如 肌苷5'-单磷酸酯 （5′-IMP）和 鸟苷5'-单磷酸酯（5'-GMP），仅形成1：1的复合物。DNA成分和环丁烷二羧酸盐（CBDCA）与[Pd（Pic）（H 2 O）2 ] 2+反应形成[Pd（Pic）（CBDCA-O）DNA]，其中（CBDCA-O）表示环丁烷由一个羧酸氧原子配位的二羧酸盐。评价溶液中复合物的浓度分布。
• New E-unidentate [Ph2P(O)NP(E)Ph2]− (E=S or Se) complexes of palladium(II) and platinum(II)
  作者：Martin B Smith*、Alexandra M.Z Slawin*

  DOI：10.1016/s0277-5387(00)00311-9

  日期：2000.3

  Metathesis of the monochloro metal(II) complexes [MCl(dien)] Cl (M=Pd or Pt; dien=diethylenetriamine) with K[Ph2P(O)-NP(E)Ph-2] (E=S or Se) or K[Ph2P(O) NPPh2] (prepared in situ from Ph2P(O)NHPPh2/KOBut) in methanol gave the cationic, mononuclear compounds [M(Ph2P(O)NP(E)Ph-2-E)(dien)](+) or [M(Ph2P(O)NPPh2-P)(dien)](+), isolated as their hexafluorophosphate salts. Ligand substitution reactions of the dichlorometal(II) precursors [MCl2(N similar to N)] (M = Pd or Pt; N similar to N = ethane-1,2-diamine, 1,2-diaminocyclohexane) with K[Ph2P(O)NP(E)Ph-2] or K[Ph2P(O)NPPh2] gave the neutral his substituted compounds [MPh2P(O)NP(E)Ph-2-E}(2)(N similar to N)] or [MPh2P(O)NPPh2-P}(2)(N similar to N)] in high yields (63-89%). Reaction of the unsymmetrical palladium(II) compound [PdCl2(ampy)] (ampy = 2-aminomethylpyridine) with K[Ph2P(O)NP(E)Ph-2] gave [PdPh2P(O)NP(E)Ph-2-E}(2)(ampy)], analogous to the recently described compound [PdPh2P(O)NP(E)Ph-2-E}(2)(en)], in which both [Ph2P(O)NP(E)Ph-2](-) ligands are exclusively E-monodentate bound. In contrast, transmetallation of K[Ph2P(O)NP(E)Ph-2] with [PdCl2(tmeda)] (tmeda =N,N,N',N'-tetramethylethylenediamine) gave only the O,E-chelate monocationic complexes [PdPh2P(O)NP(E)Ph-2-O,E}(tmeda)]PF6 and not [PdPh2P(O)NP(E)Ph-2-E}(2)(tmeda)]. Under similar reaction conditions the symmetrical anions [Ph2P(E)NP(E)Ph-2](-) (E=S or Se) gave, without exception, the known bis homoleptic complexes [MPh2P(E)NP(E)Ph-2-E,E'}(2)] (M=Pd or Pt) with displacement of all chloride and amine ligands. All new compounds have been characterised by a combination of multinuclear NMR (H-1, P-31H-1}, Pt-195H-1}), IR spectroscopy and elemental analyses. Furthermore, the X-ray crystal structures of five compounds have been determined and reveal a range of intermolecular and intramolecular hydrogen bonding contacts. There is also evidence for pi-delocalisation within the E-P-N-P-O and P-N-P-O backbones of the E-ligating or O,E-chelating ligand. (C) 2000 Elsevier Science Ltd All rights reserved.
• Palladium(II) complexes of 2-pyridylmethylamine and 8-aminoquinoline: A crystallographic and DFT study
  作者：Kate J. Akerman、Chané Venter、Leigh A. Hunter、Matthew P. Akerman

  DOI：10.1016/j.molstruc.2015.02.077

  日期：2015.7

  Two nominally square planar palladium(II) chelates: dichloro-(2-aminomethylpyridine-N,N')-palladium(II) ([Pd(L1)Cl-2]) and dichloro-(8-aminoquinoline)-palladium(II) ([Pd(L2)Cl-2]) have been synthesised and studied by X-ray crystallography and DFT methods. [Pd(L1)Cl-2] crystallised in the monoclinic space group C2/c. In the solid state this compound exists as a one-dimensional supramolecular structure supported by N-H center dot center dot center dot Cl hydrogen bonds and metallophilic Pd center dot center dot center dot Pd interactions. The same hydrogen bonding motif leads to a two-dimensional supramolecular structure in the case of [Pd(L2)Cl-2]; this structure is devoid of metallophilic interactions. DFT simulations show that the planar geometry of [Pd(L1)Cl-2] in the solid state is not the lowest energy conformation. An out-of-plane distortion of the methylene group leads to a structure ca. 11 kJ mol(-1) lower in energy. The NBO partial charges provide insight into the stability of the hydrogen bonding motif. TD-DFT calculations were used to delineate the experimental UV-visible spectra. (C) 2015 Elsevier B.V. All rights reserved.