[Au(N6-(2-fluorobenzyl)adenine)(chloride)3] | 1590405-03-0

• 英文名称: [Au(N6-(2-fluorobenzyl)adenine)(chloride)3]
• 英文别名: [Au(N6-(2-fluorobenzyl)adenine)(chloride)₃]
• CAS: 1590405-03-0
• 化学式: C₁₂H₁₀AuCl₃FN₅
• 分子量: 546.569
• InChiKey: DXELCKHILXEJGT-UHFFFAOYSA-K

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：

  2-氟苄胺 、 6-氯嘌呤 在 三乙胺 作用下， 以 丙酮 、 叔丁醇 为溶剂， 反应 8.0h， 生成 [Au(N6-(2-fluorobenzyl)adenine)(chloride)3]
  参考文献：
  名称：

  Diverse in vitro and in vivo anti-inflammatory effects of trichlorido-gold(III) complexes with N6-benzyladenine derivatives

  摘要：

  A series of gold(III) complexes involving differently substituted derivatives of a plant hormone N6-benzyladenine (HL1-5) is reported. The complexes have the general formula [Au(HL1-5)Cl-3]center dot nH(2)O (n = 0 for 1,3-5; and n = 1 for 2), where N6-(2-fluorobenzyl)adenine(HL1), N6-(2-chlorobenzyl)adenine (HL2), N6-(3-chlorobenzyl)adenine (HL3), N6-(4-chlorobenzyl)adenine (HL4) and N6-(4-methylbenzyl)adenine (HL5) represent the N9coordinated ligands. The results of thorough characterization (elemental and thermal analyses, FT-IR, Raman and NMR spectroscopies, ESI+ mass spectrometry, conductivity measurements, OFT calculations) showed that the presented complexes 1-5 involve a central gold(III) atom coordinated in a square-planar geometry by the N9 atom of the purine moiety of HL1-5 and by three chlorido ligands. The complexes (1-5) were studied in vitro for cytotoxicity and anti-inflammatory activity on LPS-activated macrophages (THP-1 cell line), and in vivo for anti-inflammatory effects (1, 2, 5) using the carrageenan-induced hind paw oedema model on rats. Surprisingly, the results on the in vitro level revealed that the complexes show negligible cytotoxicity and anti-inflammatory activity, however, the activity on the in vivo level was found to be significant, fully comparable with the utilized drug Indomethacin, or even better as compared to a gold-containing metallodrug Auranofin. (c) 2014 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jinorgbio.2014.02.002