[Pt3(N,N,N',N',N'',N''-hexa(2-pyridyl)-1,3,5-tris(aminomethyl)benzene)Cl6] | 609769-92-8

• 英文名称: [Pt3(N,N,N',N',N'',N''-hexa(2-pyridyl)-1,3,5-tris(aminomethyl)benzene)Cl6]
• CAS: 609769-92-8
• 化学式: C₃₉H₃₃Cl₆N₉Pt₃
• 分子量: 1425.71
• InChiKey: MDIYGTNSLGBNCC-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  [Pt3(N,N,N',N',N'',N''-hexa(2-pyridyl)-1,3,5-tris(aminomethyl)benzene)Cl6] 、 水 、 silver perchlorate 在 高氯酸 作用下， 反应 48.0h， 生成
  参考文献：
  名称：

  Kinetics and mechanistic study of polynuclear platinum(II) polypyridyl complexes; A paradigm shift in search of new anticancer agents

  摘要：

  This paper reports on a mechanistic interaction between mononuclear and polynuclear platinum(II) complexes viz; phenyl-dichlorido-2,2'-dipyridinylaminediaquaplatinum(II) (PtC1); di-2-pyridy-laminomethylbenzenediaquaplatinum( II) (PtC2); 1,3,5-tris(2,2'dipyridylamino)-benzenehexaquaplatinum( II) (PtC3); 1,3,5-tris(2,2'dipyridylmethylamino) benzenehexaquaplatinum(II) (PtC4); and 2,4,6-tris (2,2'-dipyridylamino)-1,3,5-triazinehexaquaplatinum(II) (PtC5) with thiourea nucleophiles under pseudo-first-order conditions as a function of nucleophile concentration and temperature using stopped-flow and UV-Vis spectrophotometric techniques. The reactivity of the complexes followed the order PtC5 > PtC1 > PtC3 > PtC2 > PtC4 with thiourea (TU) as the entering nucleophile. The study demonstrates that both rigidity and flexibility has an influence on the kinetics of the complexes and governs by both steric and electronic effects. Introduction of methylene groups destroys conjugacy and lowers the acidity of the complexes. Kinetic and DFT data concur and illustrates that electron donation by methylene bridge leads to stabilization of the complexes. The study further shows that replacement of the methyne (= CH-) groups with nitrogen atoms enhances reactivity. The small positive enthalpy of activation and large negative values of entropy of activation indicate an associative mode of activation for aqua ligand substitutions and dechelation processes. (C) 2017 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2017.08.065
• 作为产物：
  描述：

  N,N,N',N',N'',N''-hexa(2-pyridyl)-1,3,5-tris(aminomethyl)benzene 、 potassium tetrachloroplatinate(II) 以 not given 为溶剂， 以99%的产率得到[Pt3(N,N,N',N',N'',N''-hexa(2-pyridyl)-1,3,5-tris(aminomethyl)benzene)Cl6]
  参考文献：
  名称：

  Toward the Design of Novel Polynuclear Platinum Antitumor Complexes:  A Polydentate Ligand System Based on Dipyridylamine and 1,3,5-Trimethylenebenzene

  摘要：

  A novel hexadentate ligand, N,N,N',N',N',N'-hexa(2-pyridyl)-1,3,5-tris(aminomethyl)benzene (L), was designed and synthesized. The X-ray structure analysis reveals that the three dipyridylamine (DPA) groups of L are almost perpendicular to the central trimethylenebenzene, and two of them are spacially close to each other while the third one is further apart. The trinuclear Pt(II) complexes [Pt3LCl6] (1) and [Pt3L(CBDCA)(3)] (2) (where CBDCA represents cyclobutane dicarboxylic acid) were prepared and fully characterized by IR, NMR, and ESMS spectroscopy. A mononuclear complex, [PtL(CBDCA)] (3), was also prepared and structurally characterized, which suggests that controlled formation of mono-, di-, and trinuclear complexes with L is possible. Spectroscopic data showed that complexes 2 and 3 are able to bind to calf thymus DNA and their CBDCA group can be readily replaced by thiourea.

  DOI：

  10.1021/ic034604q