| 58667-84-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 58667-84-8
• 化学式: C₉H₉N₃O₂S₂*C₄₂H₇₀O₃₅
• 分子量: 1390.32
• InChiKey: YTTXAFQIXQXQCL-ZQOBQRRWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -13.7
• 重原子数：
  93.0
• 可旋转键数：
  10.0
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  639.13
• 氢给体数：
  23.0
• 氢受体数：
  40.0

反应信息

• 作为产物：
  描述：

  磺胺噻唑 、 β-环糊精 以 水 为溶剂， 反应 48.0h， 生成
  参考文献：
  名称：

  Spectral Characteristics of Sulfa Drugs: Effect of Solvents, pH and β-Cyclodextrin

  摘要：

  分析了磺胺甲噁唑（SMO）、磺胺异噁唑（SFO）、磺胺噻唑（STO）和磺胺（SAM）在不同溶剂、pH 值和β-环糊精（β-CD）中的吸收光谱和荧光光谱。通过紫外可见光谱、荧光测定法、DFT、扫描电镜、傅立叶变换红外光谱和 1H NMR 对上述磺胺类药物与 β-CD 的包合物进行了研究。溶剂研究表明，SAM 分子（R-SO2-NH-基团）中取代基（噁唑或噻唑基团）的位置并不是改变这些磺胺药物分子吸收和发射行为的关键因素。在水溶液中观察到的是单一荧光带（340 nm），而在β-CD溶液中观察到的是α-药物化合物的双发射（430 nm）。在 SMO、SFO 和 STO 中形成的包合物应导致双发射，这是由于分子内电荷转移扭曲带（TICT）造成的。β-CD 研究表明：(i)  α-药物与 β-CD 形成 1:1 的包合复合物；(ii)  β-CD 介质中的红移和 TICT 的存在证实了杂环封装在 β-CD 空腔中，苯胺环存在于 β-CD 空腔的外侧。

  DOI：

  10.1007/s10953-010-9559-0

文献信息

• Fluorimetric determination of sulphathiazole in honey by means the formation of CDs inclusion complexes
  作者：C. Lucas-Abellán、I. Guillén、M.T. Mercader-Ros、A. Serrano-Martínez、E. Núñez-Delicado、J.A. Gabaldón

  DOI：10.1016/j.carbpol.2013.11.032

  日期：2014.3

  The inclusion complex of sulphathiazole in β-cyclodextrin has been investigated. A 1:2 stoichiometry of the complex was established and formation constants K2 (42.83 ± 3.27 M(-1)) and K1 (4.98 ± 0.36 M(-1)) were calculated by using the changes produced on the native fluorescence of the drug, when included on the hydrophobic cyclodextrin cavity. An enhancement in the fluorescence emission of sulphathiazole and protection of the drug against photochemical reactions has been attained upon inclusion. In solutions of β-CD dual emission (458 nm) was noticed in STZ. Formation of the inclusion complex of STZ should result in dual emission, which is due to a twisted intramolecular charge transfer band (TICT). A fluorimetric method for the determination of sulphathiazole has been proposed and applied in honey without sample treatment. The optimized fluorimetric method showed detection and quantitation limits of 9.74 ng/g and 32.48 ng/g, respectively. Selectivity is high, showing no cross-reactivity to other chemically related antibiotics. The results obtained for blind honey samples (mean recovery 97%), were in good agreement with those obtained by liquid chromatography separation and mass spectrometry detection (LC-MS) (mean recovery 102%), showing that the proposed method might be used for the determination of sulphathiazole residues without expensive equipment.