4-(((6aS,10S,10aS,11aS,12S)-8-carbamoyl-10-(dimethylamino)-4,6,6a,9,12-pentahydroxy-12-methyl-5,7-dioxo-5,6a,7,10,10a,11,11a,12-octahydrotetracen-1-yl)diazenyl)benzoic acid | 1043894-28-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 四环素类
• 英文名称: 4-(((6aS,10S,10aS,11aS,12S)-8-carbamoyl-10-(dimethylamino)-4,6,6a,9,12-pentahydroxy-12-methyl-5,7-dioxo-5,6a,7,10,10a,11,11a,12-octahydrotetracen-1-yl)diazenyl)benzoic acid
• CAS: 1043894-28-5
• 化学式: C₂₉H₂₈N₄O₁₀
• 分子量: 592.562
• InChiKey: TWWSXBHPQLAWNT-VUDKBSHCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  43.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  243.64
• 氢给体数：
  7.0
• 氢受体数：
  12.0

反应信息

• 作为产物：
  描述：

  四环素 、 对氨基苯甲酸 在 盐酸 、 sodium nitrite 、 sodium perborate 、 sodium chloride 作用下， 以 水 为溶剂， 反应 3.0h， 生成 4-(((6aS,10S,10aS,11aS,12S)-8-carbamoyl-10-(dimethylamino)-4,6,6a,9,12-pentahydroxy-12-methyl-5,7-dioxo-5,6a,7,10,10a,11,11a,12-octahydrotetracen-1-yl)diazenyl)benzoic acid
  参考文献：
  名称：

  Preparation of Anti-Tetracycline Antibodies and Development of an Indirect Heterologous Competitive Enzyme-Linked Immunosorbent Assay to Detect Residues of Tetracycline in Milk

  摘要：

  Tetracycline (TC) is a broad-spectrum antibiotic used increasingly in animal husbandry to treat diseases or to promote growth as feed additives. To avoid using labor-intensive instrumental methods to detect residues of TC in food and food products, a simple and convenient indirect heterologous competitive enzyme-linked immunosorbent assay (ELISA) method for TC was developed using polyclonal antibody prepared in this study. Three new immunogens, TC-o-tolidine-bovine serum albumin (BSA), TC-4-aminobenzoic acid-cationized BSA (cBSA), and TC-1,1'-carbonyldiimidazole-cBSA, were synthesized in this research to develop anti-TC antibodies. All antibodies raised in rabbits and coating antigens synthesized were screened and characterized using homologous and heterologous ELISA formats to select the best combination. An optimized ELISA gave an IC50 value of 3.92 mu g/mL toward TC in PBS buffer. The specificity of the assay was studied by measuring cross-reactivity of the antibody with the structurally closely related compounds of chlortetracycline (112%) and oxytetracycline (< 2%). The recovery rates from the TC-fortified raw milk samples were in the range of 74-116%, while the intra- and interassay coefficients of variation were < 14.5 and < 25.0, respectively.

  DOI：

  10.1021/jf062627s