1,6-bis(2-furyl)-2,5-bis(2-hydroxy-3-formyl-5-bromobenzyl)-2,5-diazahexane | 1233968-20-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,6-bis(2-furyl)-2,5-bis(2-hydroxy-3-formyl-5-bromobenzyl)-2,5-diazahexane
• 英文别名: 5-Bromo-3-[[2-[(5-bromo-3-formyl-2-hydroxyphenyl)methyl-(furan-2-ylmethyl)amino]ethyl-(furan-2-ylmethyl)amino]methyl]-2-hydroxybenzaldehyde；5-bromo-3-[[2-[(5-bromo-3-formyl-2-hydroxyphenyl)methyl-(furan-2-ylmethyl)amino]ethyl-(furan-2-ylmethyl)amino]methyl]-2-hydroxybenzaldehyde
• CAS: 1233968-20-1
• 化学式: C₂₈H₂₆Br₂N₂O₆
• 分子量: 646.332
• InChiKey: ZROWUNFOLRVSAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  38
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1,6-bis(2-furyl)-2,5-bis(2-hydroxy-3-formyl-5-bromobenzyl)-2,5-diazahexane 、 copper(II) acetate monohydrate 以 acetonitrile 为溶剂， 生成
  参考文献：
  名称：

  DNA cleavage activities and mechanism of a novel heterodinuclear macrocyclic complex

  摘要：

  A new unsymmetrical bis-furan pendant-armed macrocyclic heterodinuclear Cu(II)Zn(II) complex, [CuZnL(OAc)](ClO4)center dot 3MeCN center dot H2O(1) (H2L was derived from the condensation between 1,6-bis(2-furyl)-2,5-bis(2-hydroxy-3-formyl-5-bromobenzyl)-2,5-diazahexane and 1,3-diaminopropane), has been synthesized and characterized by EDS (energy dispersive spectroscopy) and X-ray crystallography determination. The interaction between the complex and calf thymus (CT) DNA was investigated by UV-vis absorption, viscosity experiment, fluorescent and CD spectroscopy. The mechanism of the cleavage of supercoiled DNA (pBR 322DNA) process was also studied. It is proposed that DNA cleavage promoted by the complex occurrence via oxidative mechanism. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2009.12.013
• 作为产物：
  描述：

  聚合甲醛 、 N,N'-bis[(2-furyl)methyl]-1,2-diaminoethane 、 5-溴水杨醛 以 甲醇 为溶剂， 生成 1,6-bis(2-furyl)-2,5-bis(2-hydroxy-3-formyl-5-bromobenzyl)-2,5-diazahexane
  参考文献：
  名称：

  DNA cleavage activities and mechanism of a novel heterodinuclear macrocyclic complex

  摘要：

  A new unsymmetrical bis-furan pendant-armed macrocyclic heterodinuclear Cu(II)Zn(II) complex, [CuZnL(OAc)](ClO4)center dot 3MeCN center dot H2O(1) (H2L was derived from the condensation between 1,6-bis(2-furyl)-2,5-bis(2-hydroxy-3-formyl-5-bromobenzyl)-2,5-diazahexane and 1,3-diaminopropane), has been synthesized and characterized by EDS (energy dispersive spectroscopy) and X-ray crystallography determination. The interaction between the complex and calf thymus (CT) DNA was investigated by UV-vis absorption, viscosity experiment, fluorescent and CD spectroscopy. The mechanism of the cleavage of supercoiled DNA (pBR 322DNA) process was also studied. It is proposed that DNA cleavage promoted by the complex occurrence via oxidative mechanism. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2009.12.013

文献信息

• DNA cleavage activities and mechanism of a novel heterodinuclear macrocyclic complex
  作者：Yuan He、Xiaohui Wang、Hong Zhou、Zhiquan Pan、Junbo Li、Qimao Huang

  DOI：10.1016/j.inoche.2009.12.013

  日期：2010.2

  A new unsymmetrical bis-furan pendant-armed macrocyclic heterodinuclear Cu(II)Zn(II) complex, [CuZnL(OAc)](ClO4)center dot 3MeCN center dot H2O(1) (H2L was derived from the condensation between 1,6-bis(2-furyl)-2,5-bis(2-hydroxy-3-formyl-5-bromobenzyl)-2,5-diazahexane and 1,3-diaminopropane), has been synthesized and characterized by EDS (energy dispersive spectroscopy) and X-ray crystallography determination. The interaction between the complex and calf thymus (CT) DNA was investigated by UV-vis absorption, viscosity experiment, fluorescent and CD spectroscopy. The mechanism of the cleavage of supercoiled DNA (pBR 322DNA) process was also studied. It is proposed that DNA cleavage promoted by the complex occurrence via oxidative mechanism. (C) 2010 Elsevier B.V. All rights reserved.