4,4'-dimethoxysalen Fe(III) chloride | 1202509-09-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 4,4'-dimethoxysalen Fe(III) chloride
• 英文别名: chloro(N,N’-bis(4-methoxysalicylidene)ethylenediaminato)iron(III)
• CAS: 1202509-09-8
• 化学式: C₁₈H₁₈FeN₂O₄*Cl
• 分子量: 417.652
• InChiKey: ZXPHYYKCSVPHIG-GAMUHHASSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  iron(III) chloride 、 N,N'-ethylene-bis(4-methoxy-salicylideneamine) 以 甲醇 为溶剂， 反应 0.5h， 生成 4,4'-dimethoxysalen Fe(III) chloride
  参考文献：
  名称：

  APOPTOTIC AND ANTI-TUMOR ACTIVITIES OF METALLO-SALENS

  摘要：

  本发明描述了金属沙伦化合物及其衍生物的合成和生化活性。本发明的Mn(III)-salen和Fe(III)-salen衍生物是潜在的抗肿瘤剂，能影响细胞存活能力，诱导强烈的凋亡活性，引起乳腺癌细胞MCF-7的核浓缩、碎裂，最终导致细胞死亡。

  公开号：

  US20090326061A1

文献信息

• Synthesis, Crystal Structures, and Biological Activity of Cu(II), Mn(III), and Fe(III) Complexes Derived from <i>N,N’</i>-Bis(4-methoxysalicylidene)ethylenediamine
  作者：Da-Hua Shi、Na Zhang、Wei-Wei Liu、Liu-Liu Gao、Qian Zhang、Zhong-Lu You

  DOI：10.1080/15533174.2012.684236

  日期：2012.9.1

  Three mononuclear copper(II), manganese(III), and iron(III) complexes, [CuL(OH2)] (1), [MnClL] (2), and [FeClL] (3), where L is the deprotonated form of N,N'-bis(4-methoxysalicylidene) ethylenediamine, were synthesized and structurally characterized by physicochemical methods and single-crystal X-ray diffraction. Each metal atom in the complexes adopts a square pyramidal coordination, with the four donor atoms of the Schiff base defining the basal plane, and with the water molecule for 1, and chloride atom for 2 and 3 occupying the apical position. The complexes were evaluated in vitro for their inhibitory activities against Jack bean urease. The copper complex showed effective inhibitory activity against the urease. A docking simulation was performed for the copper complex into the active site of the urease to investigate the probable binding conformation.