bis(N-(4-carboxybenzyl)pyridinium)dibromozic(II) | 1335487-41-6

• 英文名称: bis(N-(4-carboxybenzyl)pyridinium)dibromozic(II)
• CAS: 1335487-41-6
• 化学式: C₂₆H₂₂Br₂N₂O₄Zn
• 分子量: 651.67
• InChiKey: UZXJDDMEJNDACM-UHFFFAOYSA-L

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

• 作为产物：
  描述：

  zinc(II) nitrate hexahydrate 、 N-(4-carboxybenzyl)pyridinium bromide 在 NaOH 作用下， 以 水 为溶剂， 以48%的产率得到bis(N-(4-carboxybenzyl)pyridinium)dibromozic(II)
  参考文献：
  名称：

  Synthesis, crystal structures and biological evaluation of water-soluble zinc complexes of zwitterionic carboxylates

  摘要：

  Three water-soluble zinc complexes, [Zn(Cbp)(2)Br-2] (1) (Cbp = N-(4-carboxybenzyl)pyridinium), {[Zn(BCbpy)(2)(H2O)(4)](3)Br-6 center dot 2(BCbpy)center dot 2(4,4'-bipy)} (2) (BCbpy = 1-(4-carboxybenzyl)-4,4'-bipyridinium) and {[Zn-4(Bpybc)(6)(H2O)(12)](OH)(8)center dot 9H(2)O}(2n) (3) (Bpybc = 1,1'-bis(4-carboxybenzyl)-4,4'-bipyridinium), were synthesized and characterized by IR, elemental analysis and single-crystal X-ray crystallography. In complex 1, the central Zn atom adopts a distorted tetrahedral coordination geometry that is formed from two unidentate Cbp ligands and two Br atoms. For complex 2, the Zn atom in [Zn(BCbpy)(2)(H2O)(4)](2+) is strongly coordinated by four water molecules and two N atoms from two BCbpy ligands, hence forming an octahedral geometry. In complex 3, each Bpybc ligand bridges two [Zn(H2O)(3)](2+) units through two terminal carboxylate groups in a monodentate coordination mode, thus forming a flowerlike two-dimensional network. Agarose gel electrophoresis (GE) and ethidium bromide (EB) displacement experiments indicated that complex 3 was capable of converting pBR322 DNA into open circular (OC) and linear forms, and exhibited high binding affinity toward calf-thymus DNA. MTT assay showed that complex 3 displayed inhibitory activities toward the proliferation of lung adenocarcinoma A549 and mouse sarcoma S-180 cells, with the IC50 values being 27.3 and 48.8 mu M, respectively. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.06.054