(R)-2-amino-3-mercapto-N-(4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)propanimidic acid | 1372689-48-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (R)-2-amino-3-mercapto-N-(4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)propanimidic acid
• 英文别名: L-cystinoyl sulfadiazine
• CAS: 1372689-48-9
• 化学式: C₁₃H₁₅N₅O₃S₂
• 分子量: 353.426
• InChiKey: NVRRPWPBVQTLHZ-NSHDSACASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.47
• 重原子数：
  23.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  127.07
• 氢给体数：
  4.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  磺胺嘧啶 、 芴甲氧羰基-L-半胱氨酸 在 N,N'-二环己基碳二亚胺 、 溶剂黄146 、 N,N-二环己脲 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 (R)-2-amino-3-mercapto-N-(4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)propanimidic acid
  参考文献：
  名称：

  Synthesis and characterization of copper(II) complexes of sulfadiazine with amino acids: catalytic activity toward oxidation of phenol and catechol

  摘要：

  New copper complexes of DL-methioninoylsulfadiazine (MTS) and L-cystinoylsulfadiazine (CYS) were prepared and characterized using elemental analysis, IR, electronic spectroscopy, EPR spectroscopy, and thermal analysis. The mode of binding indicates that copper binds to MTS through carbonyl oxygen with the amino group nitrogen while for Cu-II-CYS the copper binds through carbonyl oxygen and SH with removal of its proton. The proposed structures were supported by conformational analysis which showed predominance of the trans form of copper(II)-L-cystinoylsulfadiazine. The two complexes enhanced oxidation of phenol and catechol in the presence of H2O2 under mild conditions. The catalyst shows proficiency toward oxidation of phenol and catechol compared to the auto-catalytic oxidation. Cu-II-MTS exhibited higher catalytic activity than Cu-II-CYS. The phenol and catechol oxidation is inhibited by Kojic acid.

  DOI：

  10.1080/00958972.2012.671936