(dihexadecyl 2,2'-bipyridyl-4,4'-dicarboxylate)platinum(II) chloride | 643745-12-4

• 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: (dihexadecyl 2,2'-bipyridyl-4,4'-dicarboxylate)platinum(II) chloride
• 英文别名: [(2,2'-bipyridyl-4,4'-bis-hexadecylcarboxylate)PtCl2]；dichloroplatinum;hexadecyl 2-(4-hexadecoxycarbonylpyridin-2-yl)pyridine-4-carboxylate
• CAS: 643745-12-4
• 化学式: C₄₄H₇₂Cl₂N₂O₄Pt
• 分子量: 959.053
• InChiKey: CXDQNTPMSYPTIE-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：

  (dihexadecyl 2,2'-bipyridyl-4,4'-dicarboxylate)platinum(II) chloride 、 potassium bromide 以 N,N-二甲基甲酰胺 为溶剂， 以76%的产率得到(dihexadecyl 2,2'-bipyridyl-4,4'-dicarboxylate)platinum(II) bromide
  参考文献：
  名称：

  偶极 4,4'-二取代 2,2'-联吡啶金属配合物自组织成发光层状液晶

  摘要：

  单核顺式二氯配合物 [LnMCl2]，具有不同的金属中心（PtII、NiII 和 ZnII）和一系列钯和铂衍生物 [L2MX2]，其中氯基团被碘化物、溴化物和叠氮化物配体取代，已由 4,4'-二取代-2,2'-联吡啶合成。在这些非介晶配体络合后，以新衍生物分子间缔合为特征的特殊结构排列在大多数 [L2MX2] 配合物中诱导介晶现象，证实了配位化学在金属介导的液晶形成中的重要性。已确定二十六烷基 2,2'-联吡啶-4,4'-二羧基钯和二氯化锌衍生物的单晶 X 射线结构。金属中心和辅助配体都经过改变，以使用偶极耦合作为控制分子结构的工具：热和光谱特性在很大程度上取决于分子偶极相互作用。已经获得了基于 PdII 和 PtII 的可调谐红色和蓝色发射器，无论是在溶液中还是在固态中。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany

  DOI：

  10.1002/ejic.200300223
• 作为产物：
  描述：

  platinum(II) chloride 、 dihexadecyl 2,2′-bipyridine-4,4′-dicarboxylate 以 甲苯 为溶剂， 反应 18.0h， 生成 (dihexadecyl 2,2'-bipyridyl-4,4'-dicarboxylate)platinum(II) chloride
  参考文献：
  名称：

  Effect of Axial Interactions on the Formation of Mesophases: Comparison of the Phase Behavior of Dialkyl 2,2′-bipyridyl-4,4′-dicarboxylate Complexes of Pt(II), Pt(IV), and Pt(II)/Pt(IV) Molecular Alloys

  摘要：

  Crystal engineering through the use of metal-based interactions is relatively common, but this approach has not been widely used to develop highly ordered liquid-crystalline (LC) phases. Herein is presented a Pt(II)/Pt(IV) system with a highly ordered LC phase engineered to form through metal-based MX chain interactions of the type Pt(II)center dot center dot center dot Cl-Pt(IV). This LC material constitutes a molecular alloy in which a single mesophase is formed from two components, and is the first alloy to include a Pt(IV) component. The molecular alloy was characterized via differential scanning calorimetry (DSC), polarizing optical microscopy (POM), and variable-temperature X-ray diffraction (VT XRD). The alloy properties are contrasted with complimentary analyses of the individual components. The newly synthesized tetrachloro(dialkyl 4,4'-dicarboxylate-2,2'-bipyridyl)platinum(IV) complexes ((PtLCl4)-Cl-n, n is the number of carbons in the alkyl chain) are themselves liquid crystalline. Structural and thermal properties of the Pt(II) analogues are presented to provide context to the behaviors of the Pt(IV) species and the alloys. Single-crystal X-ray diffraction data is presented for (PtLCl2)-Cl-1 center dot CH2Cl2, (PtLCl2)-Cl-2, and (PtLCl2)-Cl-16-center dot 2CHCl(3). This study demonstrates the potential of mesophase ordering through carefully engineered metal-based interactions. The resulting alloy provides a phase for studying MX chain interactions outside of the solid state.

  DOI：

  10.1021/cm3018105

文献信息

• Bioactive fragments synergically involved in the design of new generation Pt(ii) and Pd(ii)-based anticancer compounds
  作者：Daniela Pucci、Anna Bellusci、Sergio Bernardini、Rossana Bloise、Alessandra Crispini、Giorgio Federici、Paola Liguori、Maria Fatima Lucas、Nino Russo、Alessandra Valentini

  DOI：10.1039/b808093c

  日期：——

  New Pt(II) and Pd(II) complexes with the metal center coordinated to two different chelating ligands, tropolone (trop) and dihexadecyl-2,2′-bipyridine-4,4′-dicarboxylate bipyridine (bipy), [(bipy)M(trop)][CF3SO3], have been synthesized and their biological evaluation has been performed demonstrating a remarkable cytotoxic activity in vitro against the human prostate DU145 and hormone-sensitive LNCaP cells lines. Moreover, for the Pt(II) derivative, the molecular structure has been determined by single-crystal X-ray diffraction and computational analysis on the hydrolysis reaction mechanisms have been performed by density functional theory (DFT) calculations, in order to correlate molecular structure, biological activity and mechanism of action of this new class of complexes based on two different bioactive fragments.

  新型的铂(II)和钯(II)复合物，其金属中心与两种不同的螯合配体——草萘酮（trop）和二十六烷基-2,2′-联吡啶-4,4′-二羧酸盐（bipy）配位，化学式为[(bipy)M(trop)][CF3SO3]，已合成并进行了生物学评估，显示出对人前列腺DU145细胞和激素敏感的LNCaP细胞系具有显著的细胞毒活性。此外，对于铂(II)衍生物，其分子结构已通过单晶X射线衍射法确定，并通过密度泛函理论（DFT）计算对水解反应机制进行了计算分析，以关联该基于两种不同生物活性片段的新型复合物的分子结构、生物活性和作用机制。