6-<(4-oxo-1,2,3-benzotriazin-3-yl)methylthio>hexanoic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并-1,2,3-三嗪类化合物
• 英文名称: 6-<(4-oxo-1,2,3-benzotriazin-3-yl)methylthio>hexanoic acid
• 英文别名: 4-Ketobenzotriazine-CH2-S-(CH2)5-COOH；6-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]hexanoic acid
• 化学式: C₁₄H₁₇N₃O₃S
• 分子量: 307.373
• InChiKey: QYLIXQGRHFVIQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-氯甲基-3-苯并噻嗪-4(3H)-酮 、 6-巯基己酸 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 0.25h， 以28%的产率得到6-<(4-oxo-1,2,3-benzotriazin-3-yl)methylthio>hexanoic acid
  参考文献：
  名称：

  Development of Monoclonal ELISAs for Azinphos-methyl. 1. Hapten Synthesis and Antibody Production

  摘要：

  The development of monoclonal antibody-based enzyme-linked immunosorbent assays for azinphosmethyl is described. A panel of haptens was synthesized for immunoconjugate preparation, and a series of haptens for heterologous, coating or tracer, conjugates was also prepared. Hapten synthesis was based on a strategy in which only a fragment of the whole target molecule was present (fragmentary haptens). From immunized mice, a set of monoclonal antibodies was obtained and ELISA sensitivities were assayed in different formats. Affinities estimated as I-50 values in the low nanomolar range for azinphos-methyl and phosmet were observed for several monoclonal antibodies in the conjugate-coated format and in the antibody-coated format under nonoptimized assay conditions.

  DOI：

  10.1021/jf9808675

文献信息

• Development of Monoclonal ELISAs for Azinphos-methyl. 1. Hapten Synthesis and Antibody Production
  作者：Josep V. Mercader、Angel Montoya

  DOI：10.1021/jf9808675

  日期：1999.3.1

  The development of monoclonal antibody-based enzyme-linked immunosorbent assays for azinphosmethyl is described. A panel of haptens was synthesized for immunoconjugate preparation, and a series of haptens for heterologous, coating or tracer, conjugates was also prepared. Hapten synthesis was based on a strategy in which only a fragment of the whole target molecule was present (fragmentary haptens). From immunized mice, a set of monoclonal antibodies was obtained and ELISA sensitivities were assayed in different formats. Affinities estimated as I-50 values in the low nanomolar range for azinphos-methyl and phosmet were observed for several monoclonal antibodies in the conjugate-coated format and in the antibody-coated format under nonoptimized assay conditions.