(E,E',E'',E''')-N,N',N'',N'''-[(1,2-ethenyliden)tetrakis(methylenoxy(2,1-naphthalinediyl)methylidyne)]tetrakis(1,2,4-triazol-4-amine) | 1449145-32-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (E,E',E'',E''')-N,N',N'',N'''-[(1,2-ethenyliden)tetrakis(methylenoxy(2,1-naphthalinediyl)methylidyne)]tetrakis(1,2,4-triazol-4-amine)
• 英文别名: (E)-N-(1,2,4-triazol-4-yl)-1-[2-[4-[1-[(E)-1,2,4-triazol-4-yliminomethyl]naphthalen-2-yl]oxy-2,3-bis[[1-[(E)-1,2,4-triazol-4-yliminomethyl]naphthalen-2-yl]oxymethyl]but-2-enoxy]naphthalen-1-yl]methanimine
• CAS: 1449145-32-7
• 化学式: C₅₈H₄₄N₁₆O₄
• 分子量: 1029.09
• InChiKey: PBGJGZYVDKWYTD-FZIKEOQQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  78
• 可旋转键数：
  20
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  209
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  zinc perchlorate 、 (E,E',E'',E''')-N,N',N'',N'''-[(1,2-ethenyliden)tetrakis(methylenoxy(2,1-naphthalinediyl)methylidyne)]tetrakis(1,2,4-triazol-4-amine) 以 二甲基亚砜 为溶剂， 以65%的产率得到(E,E',E'',E''')-N,N',N'',N'''-[(1,2-ethenyliden)tetrakis(methylenoxy(2,1-naphthalinediyl)methylidyne)]tetrakis[1,2,4-triazol-4-amine]tetra(perchlorato)dimanganese(II)
  参考文献：
  名称：

  Studies on synthesis, structure, and DNA cleaving of homo-dinuclear Mn(II), Cu(II), Ni(II), and Zn(II) complexes with a heterocycle-based macroacyclic Schiff base

  摘要：

  (E,E',E'',E''')-N,N',N'',N'''-[(1,2-乙二烯基)[2,1-联苯二甲基ynes-甲基氧(2,1-联苯二丁基)的四次苯基甲基配合物]四次[1,2,4-三唑-4-氨基]配合物及其 novel 化学同核 Mn(II), Ni(II), Cu(II) 和 Zn(II) 合成化合物已成功合成并表征。通过元素分析、红外光谱、氢-1 和碳-13 核磁共振光谱、紫外-可见光谱、电雾质谱、X 射线衍射、差示扫描光谱、摩尔电导率和磁性透射测量进行了表征。电电子光谱中的吸收带和磁矩值证实了围绕金属离子的八面体环境。摩尔电导率测量证实这些复合物的非离子特性。 Also, the cleavage activities of the Schiff base and its homodimeric complexes were investigated. Results suggest that all the complexes used can be evaluated as nuclease mimics.

  DOI：

  10.1007/s00706-013-0926-6
• 作为产物：
  描述：

  4-氨基-1,2,4-三氮唑 、 2,2'-[2,3-bis(1-formyl-2-naphthyloxymethyl)-but-2-ene-1,4-diyldioxy]bis(naphthalene-1-carbaldehyde) 以 乙醇 为溶剂， 以70%的产率得到(E,E',E'',E''')-N,N',N'',N'''-[(1,2-ethenyliden)tetrakis(methylenoxy(2,1-naphthalinediyl)methylidyne)]tetrakis(1,2,4-triazol-4-amine)
  参考文献：
  名称：

  Studies on synthesis, structure, and DNA cleaving of homo-dinuclear Mn(II), Cu(II), Ni(II), and Zn(II) complexes with a heterocycle-based macroacyclic Schiff base

  摘要：

  (E,E',E'',E''')-N,N',N'',N'''-[(1,2-乙二烯基)[2,1-联苯二甲基ynes-甲基氧(2,1-联苯二丁基)的四次苯基甲基配合物]四次[1,2,4-三唑-4-氨基]配合物及其 novel 化学同核 Mn(II), Ni(II), Cu(II) 和 Zn(II) 合成化合物已成功合成并表征。通过元素分析、红外光谱、氢-1 和碳-13 核磁共振光谱、紫外-可见光谱、电雾质谱、X 射线衍射、差示扫描光谱、摩尔电导率和磁性透射测量进行了表征。电电子光谱中的吸收带和磁矩值证实了围绕金属离子的八面体环境。摩尔电导率测量证实这些复合物的非离子特性。 Also, the cleavage activities of the Schiff base and its homodimeric complexes were investigated. Results suggest that all the complexes used can be evaluated as nuclease mimics.

  DOI：

  10.1007/s00706-013-0926-6

文献信息

• Studies on synthesis, structure, and DNA cleaving of homo-dinuclear Mn(II), Cu(II), Ni(II), and Zn(II) complexes with a heterocycle-based macroacyclic Schiff base
  作者：Talat Baran、Kaan Karaoğlu、Kerim Serbest、Hülya Ağır、Cemal Sandallı、İsmail Değirmencioğlu

  DOI：10.1007/s00706-013-0926-6

  日期：2013.8

  (E,E',E'',E''')-N,N',N'',N'''-[(1,2-ethenyliden)tetrakis[methylenoxy(2,1-naphthalinediyl)methylidyne]tetrakis[1,2,4-triazol-4-amine] and its novel homo-dinuclear Mn(II), Ni(II), Cu(II), and Zn(II) complexes have been synthesized and characterized by elemental analyses, spectroscopic data (i.e., IR, H-1 and C-13 NMR, UV-Vis), electrospray ionisation mass spectra, XRD, DSC, molar conductivity, and magnetic susceptibility measurements. The absorption bands observed in the electronic spectra and magnetic moment values confirm an octahedral environment around the metal ion. The molar conductivity measurements confirm the non-ionic character of these complexes. The DNA cleavage activities of the Schiff base and its homo-dinuclear complexes are also investigated. Results suggest that all the complexes used can be evaluated as nuclease mimics.

  (E,E',E'',E''')-N,N',N'',N'''-[(1,2-乙二烯基)[2,1-联苯二甲基ynes-甲基氧(2,1-联苯二丁基)的四次苯基甲基配合物]四次[1,2,4-三唑-4-氨基]配合物及其 novel 化学同核 Mn(II), Ni(II), Cu(II) 和 Zn(II) 合成化合物已成功合成并表征。通过元素分析、红外光谱、氢-1 和碳-13 核磁共振光谱、紫外-可见光谱、电雾质谱、X 射线衍射、差示扫描光谱、摩尔电导率和磁性透射测量进行了表征。电电子光谱中的吸收带和磁矩值证实了围绕金属离子的八面体环境。摩尔电导率测量证实这些复合物的非离子特性。 Also, the cleavage activities of the Schiff base and its homodimeric complexes were investigated. Results suggest that all the complexes used can be evaluated as nuclease mimics.