8-(2-carboxymethoxyimino-2-{2-[(furan-2-ylmethylene)amino]thiazol-4-yl}acetylamino)-7-oxo-4-vinyl-2-thia-6-azabicyclo[4.2.0]oct-4-ene-5-carboxylic acid | 1312673-67-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: 8-(2-carboxymethoxyimino-2-{2-[(furan-2-ylmethylene)amino]thiazol-4-yl}acetylamino)-7-oxo-4-vinyl-2-thia-6-azabicyclo[4.2.0]oct-4-ene-5-carboxylic acid
• CAS: 1312673-67-8
• 化学式: C₂₁H₁₇N₅O₈S₂
• 分子量: 531.527
• InChiKey: SECPCXRYWTUYOJ-IARBFBSSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.22
• 重原子数：
  36.0
• 可旋转键数：
  10.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  183.99
• 氢给体数：
  3.0
• 氢受体数：
  11.0

反应信息

• 作为产物：
  描述：

  糠醛 、 头孢克肟 在 potassium hydroxide 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 0.5h， 以80%的产率得到8-(2-carboxymethoxyimino-2-{2-[(furan-2-ylmethylene)amino]thiazol-4-yl}acetylamino)-7-oxo-4-vinyl-2-thia-6-azabicyclo[4.2.0]oct-4-ene-5-carboxylic acid
  参考文献：
  名称：

  Metal-based antibacterial agents: synthesis, characterization, and in vitro biological evaluation of cefixime-derived Schiff bases and their complexes with Zn(II), Cu(II), Ni(II), and Co(II)

  摘要：

  The zinc(II), copper(II), nickel(II), and cobalt(II) complexes of Schiff bases, obtained by the condensation of cefixime with furyl-2-carboxaldehyde, thiophene-2-carboxaldehyde, salicylaldehyde, pyrrol-2-carboxaldehyde, and 3-hydroxynaphthalene-2-carboxaldehyde, were synthesized and characterized by their elemental analyses, molar conductances, magnetic moments, IR, and electronic spectral measurements. Analytical data and electrical conductivity measurements indicated the formation of M: L (1 : 2) complexes, [M(L)(2)(H2O)(2)] or [M(L)(2)(H2O)(2)]Cl-2 [where M = Zn(II), Cu(II), Ni(II), and Co(II)] in which ligands are bidentate via azomethine-N and deprotonated-O of salicyl and naphthyl, furanyl-O, thienyl-S, and deprotonated pyrrolyl-N. The magnetic moments and electronic spectral data suggest octahedral complexes. The synthesized ligands, along with their metal complexes, were screened for their antibacterial activity against different bacterial strains. The studies show the metal complexes to be more active against one or more species as compared to the uncomplexed ligands.

  DOI：

  10.1080/00958972.2011.582867