[Pd₂{(C,N)-C₆H₄CH₂NH(Et)}₂(μ-Cl)2] | 1421591-78-7

• 英文名称: [Pd₂{(C,N)-C₆H₄CH₂NH(Et)}₂(μ-Cl)2]
• 英文别名: [Pd₂{(C,N)-C₆H₄CH₂NH(Et)}₂(μ-Cl)₂]；[Pd(N-ethylbenzylamine)(μ-Cl)]₂
• CAS: 1421591-78-7
• 化学式: C₁₈H₂₄Cl₂N₂Pd₂
• 分子量: 552.148
• InChiKey: OMRPUEPYBLUKDL-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：

  [Pd₂{(C,N)-C₆H₄CH₂NH(Et)}₂(μ-Cl)2] 、 1,2-双(二苯基膦)乙烷 以 二氯甲烷 为溶剂， 反应 2.0h， 以85%的产率得到[Pd₂{(C,N)-C₆H₄CH₂NH(Et)}₂(μ-dppe)(Cl)₂]
  参考文献：
  名称：

  In vitro cytotoxicity studies of palladacyclic complexes containing the symmetric diphosphine bridging ligand. Studies of their interactions with DNA and BSA

  摘要：

  The reactions between [Pd-2{(C,N)-C6H4CH2NH(Et)}(2)(mu-X)(2)] (X = Cl or Br) and 1,2-bis(diphenylphosphino)ethane (dppe) in the 1:1 molar ratio resulted in the dppe-bridged Pd(II) complexes, [Pd-2{(C,N)-C6H4CH2NH(Et)}(2)(mu-dPPe)(Cl)(2)] (1) and [Pd-2{(C,N)-C6H4CH2NH(Et)}(2)(mu-dPPe)(Br)(2)] (2), respectively, which were characterized by elemental analyses, infrared (IR), H-1- and P-31{H-1} NMR spectroscopy. The molecular structure of I was determined by single-crystal X-ray diffraction. In vitro cytotoxicity of 1, 2, dppe, PhCH2NH(Et) and cisplatin were carried out against four human tumor cell lines. The interactions of complexes towards DNA and protein are investigated. The results suggested that both complexes could interact with FS-DNA through the intercalation mode. Moreover, the reactivity towards BSA revealed that the microenvironment and the secondary structure of BSA were changed in the presence of Pd(II) complexes. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.11.042
• 作为产物：
  描述：

  [Pd₂{(C,N)-C₆H₄CH₂NH(Et)}₂(μ-OAc)₂] 、 sodium chloride 以 水 、 丙酮 为溶剂， 反应 24.0h， 生成 [Pd₂{(C,N)-C₆H₄CH₂NH(Et)}₂(μ-Cl)2]
  参考文献：
  名称：

  含有二甲双胍和苄胺衍生物的环戊酸酯配合物：合成，表征，与DNA和BSA的结合相互作用，体外细胞毒性研究

  摘要：

  摘要含有二甲双胍的钯配合物[Pd（Met）2]（OAc）2（1）和几种通式为[Pd（苄胺）（Met）]（NO 3）的环钯配合物，其中Met为二甲双胍药物苄胺为dl-α-甲基苄胺（2），N，N-二甲基苄胺（3），N-乙基苄胺（4）和N-叔丁基苄胺（5），已通过元素分析，FT-IR和NMR光谱。光谱滴定，置换实验，DNA熔解和圆二色性（CD）光谱已用于研究复合物（1），（2）和游离二甲双胍的DNA结合特性。根据获得的结果，复合物和游离二甲双胍分别通过凹槽结合和嵌入模式有效结合至CT-DNA（小胸腺DNA）。配合物和游离二甲双胍的相应固有结合常数K b如下：二甲双胍>配合物（2）>配合物（1）。吸收和发射测量表明，复合物（1），（2）和游离二甲双胍通过静态机制具有固有结合常数（K b）在1.18×10 4 –4.81×10 4 M -1浓度范围内与BSA紧密结合。 。BSA上的复合物和游离二甲双

  DOI：

  10.1016/j.ica.2017.07.020

文献信息

• Synthesis and structural studies of cyclopalladated complexes of secondary benzylamines
  作者：Kazem Karami、Mahboubeh Hosseini Kharat、Corrado Rizzoli、Janusz Lipkowski

  DOI：10.1016/j.jorganchem.2012.12.032

  日期：2013.3

  Di-nuclear cyclopalladated acetato-bridged complexes derived from secondary benzylamines, [Pd2(C,N)-C6H4CH2NH(R)}2(μ-OAc)2] (R = Et (1), R = t-Bu (2)) were obtained by refluxing of corresponding benzylamines and Pd(OAc)2 in a 1:1 M ratio. Complex 1 was also prepared by heating the bis-amine complex [Pd(OAc)2(PhCH2NH(Et))2] (3) in toluene at 60 °C. Complex 3 reacted with an excess of NaCl to give

  衍生自仲苄胺[[Pd 2 （C，N）-C 6 H 4 CH 2 NH（R）} 2（μ-OAc）2 ]的双核环钯乙酰化桥联络合物（R = Et（1）， R = t-Bu（2））是通过将相应的苄胺和Pd（OAc）2以1：1 M的比例回流获得的。还通过在60°C下在甲苯中加热双胺络合物[Pd（OAc）2（PhCH 2 NH（Et））2 ]（3）（3）来制备络合物1。复杂3与过量的氯化钠反应生成[Pd（Cl）2（PhCH 2 NH（Et））2 ]（4）。1和2与过量的NaCl或NaBr进行易位反应，得到相应的二聚体[Pd 2 （C，N）-C 6 H 4 CH 2 NH（R）} 2（μ-X）2 ]（X = Cl ，R ＝ Et（5）； X ＝ Cl，R ＝ t-Bu（6）； X ＝ Br，R ＝ t-Bu（7））。阳离子络合物[Pd（C，N）-C 6 H 4CH 2 NH（Et）（phen）] BF
• Structural and theoretical studies of mono and di-insertion of symmetric alkynes into the Pd–C σ bond of cyclopalladated secondary (tert-butyl and ethyl) benzylamines
  作者：Kazem Karami、Mahboubeh Hosseini-Kharat、Corrado Rizzoli、Hossein Tavakol、Janusz Lipkowski

  DOI：10.1016/j.jorganchem.2013.11.030

  日期：2014.2

  cyclopalladated complexes derived from secondary benzylamines, [Pd2(C,N)–C6H4CH2NH(R)}2(μ-X)2] [X = Br, R = t-Bu (1a); X = Cl, R = t-Bu (1b); X = Cl, R = Et (1c)] is reported. 1a reacted with dimethyl acetylenedicarboxylate (DMAD) to yield the mono-inserted complex [Pd2(C,N)–C(CO2Me)C(CO2Me)C6H4CH2NH(t-Bu)}2(μ-Br)2] (2a). 1a, 1b and 1c reacted with (R′)CC(R′) (R′ = CO2Me, Ph) to give [Pd(C,N) C(R′)

  双核环钯配合物的从次级苄胺衍生的反应性，[钯2 （C，N）-C 6 H ^ 4 CH 2 NH（R）} 2（μ-X）2 ] [X = Br的，R = 吨- Bu（1a）; X = Cl，R =  t -Bu（1b）；报告了X = Cl，R = Et（1c）]。1a与乙炔二甲酸二甲酯（DMAD）反应生成单插入的复合物[Pd 2 （C，N）–C（CO 2 Me）C（CO 2 Me）C 6 H 4 CH2 NH（t- Bu）} 2（μ-Br）2 ]（2a）。1a，1b和1c与（R'）C C（R'）（R'= CO 2 Me，Ph）反应得到[Pd （C，N）C（R'）C（R'）C（R ′）C（R′）C 6 H 4 CH 2 NH（R）} X] [X = Br，R =  t -Bu，R'= CO 2 Me（3a）；X = Cl，R =  t -Bu，R'= Ph（2b）；X = Cl，R = Et，R'=
• NC Palladacycles and C,C-chelating phosphorus ylide complexes: synthesis, X-ray characterization, and comparison of the catalytic activity in the Suzuki-Miyaura reaction
  作者：Kazem Karami、Mahboubeh Hosseini-Kharat、Zahra Shirani-Sarmazeh、Reza Zahedi-Nasab、Corrado Rizzoli、Janusz Lipkowski

  DOI：10.1080/00958972.2016.1151876

  日期：2016.3.3

  13C1H}-, and 31P1H}-NMR spectroscopy with single crystal X-ray structure determination of 1a and 2a. The Pd in 1a and 2a occupies the center of a slightly distorted square planar environment formed by Caryl, Namine, Npyridine, and Cl. The catalytic efficiency of complexes showed that in most cases, amine palladacycles display better catalytic activities than the phosphorus ylide Pd(II) complexes. Comparison

  摘要 六个带有单齿配体 (1a, 2a)、1,2-双(二苯基膦)乙烷 (dppe) 和 1,3-双(二苯基膦)丙烷 (dppp) 的仲胺钯环，含有桥连和双齿配体 (1b, 2b–d )，并合成了四种包含硫脲 (tu) (3a)、异硫氰酸苯酯 (4a) 以及桥连和末端叠氮基团 (5 和 5a) 的 C,C 型磷叶立德配合物。所得配合物已通过元素分析、IR、1H-、13C1H}-和 31P1H}-NMR 光谱以及 1a 和 2a 的单晶 X 射线结构测定进行表征。1a 和 2a 中的 Pd 占据由 Cyl、Namine、Npyridine 和 Cl 形成的略微扭曲的方形平面环境的中心。配合物的催化效率表明，在大多数情况下，胺钯环比磷叶立德 Pd(II) 配合物显示出更好的催化活性。双齿和桥接dppe复合物的比较表明，dppe桥接二聚体2d比dppe双齿复合物具有更高的催化活性。
• Dinuclear bridged biphosphinic and mononuclear cyclopalladated complexes of benzylamines: Synthesis, structural characterization and antitumor activity
  作者：Kazem Karami、Mahboubeh Hosseini kharat、Hojjat Sadeghi-Aliabadi、Janusz Lipkowski、Mina Mirian

  DOI：10.1016/j.poly.2012.11.002

  日期：2013.2

  Reaction of chloro-bridged dinuclear palladacycles, [Pd-2(C,N)-C6H4CH2NH(R)}(2)(mu-Cl)(2)](R = Et (1a); R = t-Bu (1b)) with pyridine and PPh3 in the 1:2 M ratio at room temperature was used to prepare the mononuclear complexes, [Pd(C,N)-C6H4CH2NH(R)Cl(L)] (R = Et and L = Py (2a); R = t-Bu and L = PPh3 (2b)). Bridged biphosphinic palladacycle, [Pd-2(C,N-dmba)(2)(mu-dppe)(Cl)(2)] (2c), (where dmba = N,N-dimethylbenzylamine and dppe = 1,2-bis(diphenylphosphino)ethane) has been also synthesized. The complexes were fully characterized by elemental analysis, IR and NMR spectroscopies. In addition, the solid structures of palladacycles 2a and 2c were studied by single-crystal X-ray crystallography. In vitro cytotoxicity assays of the cyclopalladated complexes, (2a-2c) and cisplatin were evaluated against the Hela (human cervix carcinoma), HT-29 (colon cancer cell line), K562 (leukemia cancer cell line) and MDA-MB-468 (human breast carcinoma). The complexes 2a-2c display IC50 values in a mu M range better than that of the antitumor drug cisplatin. (C) 2012 Elsevier Ltd. All rights reserved.