3,4:9,10-dibenzo-2,11-dihydroxy-1,12-bispiperazine-5,8-dioxododecane | 1151550-23-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3,4:9,10-dibenzo-2,11-dihydroxy-1,12-bispiperazine-5,8-dioxododecane
• 英文别名: 3,4:9,10-dibenzo-2,11-dihydoxy-1,12-bispiperazine-5,8-dioxododecane
• CAS: 1151550-23-0
• 化学式: C₂₄H₃₄N₄O₄
• 分子量: 442.558
• InChiKey: JFUAMFVRGFNDJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.94
• 重原子数：
  32.0
• 可旋转键数：
  9.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  89.46
• 氢给体数：
  4.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  3,4:9,10-dibenzo-2,11-dihydroxy-1,12-bispiperazine-5,8-dioxododecane 、 zinc(II) chloride 以 甲醇 为溶剂， 以42%的产率得到3,4:9,10-dibenzo-2,11-dihydroxy-1,12-bispiperazine-5,8-dioxododecane zinc(II)
  参考文献：
  名称：

  Synthesis of new piperazine derived Cu(II)/Zn(II) metal complexes, their DNA binding studies, electrochemistry and anti-microbial activity: Validation for specific recognition of Zn(II) complex to DNA helix by interaction with thymine base

  摘要：

  New 3,41:9,10-dibenzo-2,11-dihydroxy-1,12-bispiperazine-5,8-dioxododecane complexes [C24H36N4O6Cu] (1), [C24H32N4O4Zn] (2) have been synthesized and characterized by elemental analysis, IR, NMR, Mass, EPR. UV-vis spectroscopy and Molar conductance measurements. The complexes are non-ionic in nature and possess octahedral geometry around Cu2+, Zn2+ central metal ions. The binding studies of I and 2 with calf thymus DNA (CT-DNA) were investigated by UV-vis, fluorescence, cyclic voltammetery and viscosity measurements. The calculated binding constant K-b for 1 and 2 obtained from UV-vis absorption studies was 7.6 x 10(3) M-1, 80.8 x 10(4) M-1, respectively. The intrinsic binding constants were also estimated to be 7.0 x 10(4) M-1 and 7.53 x 10(5) M-1 for 1 and 2, respectively by using emission titrations. These experimental results Suggest that complexes are groove binders and interact to CT-DNA with different affinities. Both the complexes in presence and absence of CT-DNA show quasireversible wave Corresponding to Cu-II/Cu-I and Zn-II/Zn-I redox Couple. The changes in E-1/2, Delta E. I-pa/I-pc ascertain the interaction of 1 and 2 with CT-DNA. Further, decrease in viscosity of CT-DNA with increasing concentration of complexes was observed. In vitro. antimicrobial activity against fungi A. brassicicola, A. niger and bacteria E. coli, P. aeruginosa of complexes were carried out, which indicate that complex 2 is more active against both fungal and bacterial strains as shown by % inhibition data. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2008.12.037
• 作为产物：
  描述：

  哌嗪 、 2-[2-(2-甲烷酰苯氧基)乙氧基]苯甲醛 以 苯 为溶剂， 反应 1.0h， 以80%的产率得到3,4:9,10-dibenzo-2,11-dihydroxy-1,12-bispiperazine-5,8-dioxododecane
  参考文献：
  名称：

  Synthesis of new piperazine derived Cu(II)/Zn(II) metal complexes, their DNA binding studies, electrochemistry and anti-microbial activity: Validation for specific recognition of Zn(II) complex to DNA helix by interaction with thymine base

  摘要：

  New 3,41:9,10-dibenzo-2,11-dihydroxy-1,12-bispiperazine-5,8-dioxododecane complexes [C24H36N4O6Cu] (1), [C24H32N4O4Zn] (2) have been synthesized and characterized by elemental analysis, IR, NMR, Mass, EPR. UV-vis spectroscopy and Molar conductance measurements. The complexes are non-ionic in nature and possess octahedral geometry around Cu2+, Zn2+ central metal ions. The binding studies of I and 2 with calf thymus DNA (CT-DNA) were investigated by UV-vis, fluorescence, cyclic voltammetery and viscosity measurements. The calculated binding constant K-b for 1 and 2 obtained from UV-vis absorption studies was 7.6 x 10(3) M-1, 80.8 x 10(4) M-1, respectively. The intrinsic binding constants were also estimated to be 7.0 x 10(4) M-1 and 7.53 x 10(5) M-1 for 1 and 2, respectively by using emission titrations. These experimental results Suggest that complexes are groove binders and interact to CT-DNA with different affinities. Both the complexes in presence and absence of CT-DNA show quasireversible wave Corresponding to Cu-II/Cu-I and Zn-II/Zn-I redox Couple. The changes in E-1/2, Delta E. I-pa/I-pc ascertain the interaction of 1 and 2 with CT-DNA. Further, decrease in viscosity of CT-DNA with increasing concentration of complexes was observed. In vitro. antimicrobial activity against fungi A. brassicicola, A. niger and bacteria E. coli, P. aeruginosa of complexes were carried out, which indicate that complex 2 is more active against both fungal and bacterial strains as shown by % inhibition data. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2008.12.037