[Co(secnidazole)₃(OH₂)(NO₃₎][NO_3] | 1429662-28-1

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: [Co(secnidazole)₃(OH₂)(NO₃₎][NO_3]
• CAS: 1429662-28-1
• 化学式: C₂₁H₃₅CoN₁₀O₁₃*NO₃
• 分子量: 756.566
• InChiKey: NRIOPYXJWHKKFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  cobalt(II) nitrate hexahydrate 、 塞克硝唑 以 乙醇 为溶剂， 反应 4.0h， 以62%的产率得到[Co(secnidazole)₃(OH₂)(NO₃₎][NO_3]
  参考文献：
  名称：

  Synthesis, characterization, and biological activity of cobalt(II), nickel(II), copper(II), and zinc(II) complexes of secnidazole

  摘要：

  Thirteen coordination compounds of Co-II, Ni-II, Cu-II, and Zn-II with the biologically active ligand secnidazole were designed, synthesized, and fully characterized. Using UV-Vis-NIR spectroscopy, elemental analyses, mass spectrometry, molar conductivity, magnetic susceptibility, thermogravimetry, and X-ray diffraction methods, it was determined that the compounds adopt diverse geometries and coordination numbers that range from 4 to 6 as well as different nuclearities. These structural features depend on the choice of the labile groups in the coordination sphere such as chlorides and bromides (mononuclear/tetrahedral), nitrates (mononuclear/tetrahedral or octahedral), and acetates (dinuclear bridged/squared-base pyramid). The ability of the complexes to inhibit carcinoma cells growth was assessed by determining their IC50 values (half-maximum inhibitory concentration) in three different human carcinoma cell lines: HeLa (cervix-uterine), PC3 (prostate), and HCT-15 (colon). It was found that the most active complexes display IC50 values in the range of 160-180 mu M. HeLa was found to be the most sensitive cell line towards the treatment, followed by PC3, and HCT-15. The complexes were tested for antimicrobial activity and proved to be non-active against Staphylococcus aureus, Salmonella typhi, Escherichia coli, Micrococcus luteus, and Pseudomonas aeruginosa. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.11.026