{2-amino-6-methyl-[4-(5-N-tert-butyloxycarbonylamino)pentyl]}pyrimidine | 654637-19-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: {2-amino-6-methyl-[4-(5-N-tert-butyloxycarbonylamino)pentyl]}pyrimidine
• CAS: 654637-19-1
• 化学式: C₁₅H₂₆N₄O₂
• 分子量: 294.397
• InChiKey: IYTUECLEIKENTC-UHFFFAOYSA-N

物化性质

• 密度：
  1.083±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  21.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  90.13
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  {2-amino-6-methyl-[4-(5-N-tert-butyloxycarbonylamino)pentyl]}pyrimidine 在 吡啶 、 sodium hydroxide 作用下， 生成 N1-{6-methyl-[4-(5-N-tert-butyloxycarbonylamino)pentyl]-2-pyrimidyl}sulfanilamide
  参考文献：
  名称：

  Engineering of a Broad Specificity Antibody for Simultaneous Detection of 13 Sulfonamides at the Maximum Residue Level

  摘要：

  Sulfa antibiotics (sulfonamides) are a group of molecules sharing the p-aminobenzenesulfonamide moiety. Sulfonamides are used in veterinary and human medicine. Sometimes, the meat or milk of medicated animals is contaminated with residual sulfonamides. Current analytical methods for sulfonamides are unfit for screening of food, because they are either too laborious, insensitive, or specific for a few sulfa compounds only. A rapid immunoassay for detection of all sulfas in a single reaction would thus be useful. Previously, we used protein engineering to improve the broad specificity of sulfa antibody 27G3. In this study, we improved the best mutant of the previous studies with site-directed mutagenesis. The new mutants recognized different sulfonamides with affinities sufficient for detection of all 13 tested sulfonamides below the MRL level. We furthermore demonstrated the functionality of one mutant in some real sample matrices.

  DOI：

  10.1021/jf034951i
• 作为产物：
  描述：

  氨甲酸,[6-(甲氧基甲基氨基)-6-羰基己基]-,1,1-二甲基乙基酯 在 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醚 、 乙醇 为溶剂， 反应 6.0h， 生成 {2-amino-6-methyl-[4-(5-N-tert-butyloxycarbonylamino)pentyl]}pyrimidine
  参考文献：
  名称：

  Engineering of a Broad Specificity Antibody for Simultaneous Detection of 13 Sulfonamides at the Maximum Residue Level

  摘要：

  Sulfa antibiotics (sulfonamides) are a group of molecules sharing the p-aminobenzenesulfonamide moiety. Sulfonamides are used in veterinary and human medicine. Sometimes, the meat or milk of medicated animals is contaminated with residual sulfonamides. Current analytical methods for sulfonamides are unfit for screening of food, because they are either too laborious, insensitive, or specific for a few sulfa compounds only. A rapid immunoassay for detection of all sulfas in a single reaction would thus be useful. Previously, we used protein engineering to improve the broad specificity of sulfa antibody 27G3. In this study, we improved the best mutant of the previous studies with site-directed mutagenesis. The new mutants recognized different sulfonamides with affinities sufficient for detection of all 13 tested sulfonamides below the MRL level. We furthermore demonstrated the functionality of one mutant in some real sample matrices.

  DOI：

  10.1021/jf034951i