{Cl2(4'-phenyl-2,2':6',2''-terpyridine)zinc(II)} | 133598-11-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: {Cl2(4'-phenyl-2,2':6',2''-terpyridine)zinc(II)}
• 英文别名: zinc;4-phenyl-2,6-dipyridin-2-ylpyridine;dichloride
• CAS: 133598-11-5
• 化学式: C₂₁H₁₅Cl₂N₃Zn
• 分子量: 445.666
• InChiKey: IHNBKIGADSISBF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.12
• 重原子数：
  27
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4'-苯基-2,2':6',2''-三联吡啶 、 zinc(II) chloride dihydrate 以 甲醇 、 水 、 乙腈 为溶剂， 以35%的产率得到{Cl2(4'-phenyl-2,2':6',2''-terpyridine)zinc(II)}
  参考文献：
  名称：

  Impact of metal on the DNA photo-induced cleavage activity of a family of Phterpy complexes

  摘要：

  A family of Phterpy complexes, [Mn(Phterpy)(2)][N(CN)(2)](2)center dot 0.5H(2)O (1), [Fe(Phterpy)(2)](NO3)(2) (2), [Ni(Phterpy)(2)] (NO3)(2) (3), [Ni(Phterpy)(2)]Cl-2 center dot 10H(2)O (4), [cd(phterpy)(2)](NO3)(2)center dot 2H(2)O (5) and [Zn(Phterpy)Cl-2] (6) (Phterpy = 4'-phenyl-2,2':6',2 ''-terpyridine), have been synthesized and structurally characterized, and their DNA binding and photo-induced DNA cleavage activities have been investigated. These complexes display binding propensity to the CT-DNA giving a relative order: 1>4>3, 5, 2, 6. Under dark or ambient lighting conditions, all complexes show no efficient DNA cleavage activity to pBR322 DNA. While on irradiation with UV-A light of 365 nm, complexes of 1,3 and 4 exhibit significant cleavage activities. In the presence of H2O2 as a revulsant or an activator, the cleavage ability of complex 2 is obviously enhanced. Complexes 5 and 6 do not exhibit any apparent chemical nuclease activities under irradiation conditions or with the addition of H2O2. The DNA photo-induced cleavage activities are consistent with the number of single-electron in the central metal ion of complexes and singlet oxygen and hydroxyl radical are found as the reactive oxygen species. (C) 2013 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jinorgbio.2013.01.010

文献信息

• The coordination chemistry of 4′-phenyl-2,2′:6′, 2″-terpyridine; the synthesis, crystal and molecular structures of 4′-phenyl-2,2′:6′,2″-terpyridine and bis(4′-phenyl-2,2′:6′,2″-terpyridine)nickel(II) chloride decahydrate
  作者：Edwin C. Constable、Jack Lewis、Michael C. Liptrot、Paul R. Raithby

  DOI：10.1016/s0020-1693(00)88132-3

  日期：1990.12

  The convenient preparation and the structural characterisation of the terdentate ligand 4'-phenyl-2,2':6',2"-terpyridine (crystallographic data: space group Pbcn, a = 11.801(1), b = 12.177(3), c = 10.976(3) angstrom, Z = 4, 1192 reflections with F greater-than-or-equal-to 3-sigma(F), R = 0.0556) is described. The three pyridyl rings adopt approximately planar transoid configurations about the interannular C-C bonds, whilst the phenyl ring adopts an angle of 10.9-degrees with respect to the central pyridyl ring. A range of 1:1 and 2:1 complexes of this ligand with transition metals has been prepared, and the compound [NiL2]Cl2.10H2O (L = 4'-phenyl-2,2':6',2"-terpyridine) has been structurally characterised (crystallographic data: space group P1BAR, a = 10.340(2), b = 12.690(2), c = 19.822(4) angstrom, Z = 2, 5926 reflections with F greater-than-or-equal-to 4-sigma(F), R = 0.0583). The complex possesses a distorted octahedral structure with two approximately planar terdentate L ligands; the phenyl groups now adopt angles of almost-equal-to 17-degrees with respect to the central pyridyl rings.