6-[Ethoxy-(3,5,6-trichloro-pyridin-2-yloxy)-thiophosphorylamino]-hexanoic acid tert-butyl ester | 182170-99-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 6-[Ethoxy-(3,5,6-trichloro-pyridin-2-yloxy)-thiophosphorylamino]-hexanoic acid tert-butyl ester
• CAS: 182170-99-6
• 化学式: C₁₇H₂₆Cl₃N₂O₄PS
• 分子量: 491.803
• InChiKey: YNUJGFOWQWWYLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.17
• 重原子数：
  28.0
• 可旋转键数：
  11.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  69.68
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  6-[Ethoxy-(3,5,6-trichloro-pyridin-2-yloxy)-thiophosphorylamino]-hexanoic acid tert-butyl ester 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 6-[Ethoxy-(3,5,6-trichloro-pyridin-2-yloxy)-thiophosphorylamino]-hexanoic acid
  参考文献：
  名称：

  Development of Enzyme-Linked Immunosorbent Assays for the Insecticide Chlorpyrifos. 1. Monoclonal Antibody Production and Immunoassay Design

  摘要：

  The present work describes the production and characterization of monoclonal antibodies (MAbs) to the insecticide chlorpyrifos and their incorporation into several ELISA configurations. With this aim, a collection of chlorpyrifos haptens was synthesized by introducing appropriate spacers in opposite sites of the analyte molecular structure. From mice immunized with protein conjugates of these haptens, several hybridomas secreting MAbs with the ability to sensitively bind the analyte were obtained. IMAbs showing the highest affinity to chlorpyrifos in homologous assays (I-50 values in the 20-220 nM range) were selected. Hapten heterology involving modifications of the moiety closer to the attachment site provided the highest improvement in sensitivity. MAbs displayed striking differences in their cross-reactivity pattern with structurally related compounds. One MAb (I-50 around 10 nM) was incorporated into other ELISA formats. No remarkable changes of assay characteristics, other than immunoreagent consumption and immunoassay procedure, were found. These ELISAs are potentially very valuable analytical tools for the rapid and sensitive determination of this insecticide.

  DOI：

  10.1021/jf960144q
• 作为产物：
  描述：

  6-氨基己酸叔丁酯 在 三乙胺 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 2.0h， 生成 6-[Ethoxy-(3,5,6-trichloro-pyridin-2-yloxy)-thiophosphorylamino]-hexanoic acid tert-butyl ester
  参考文献：
  名称：

  Development of Enzyme-Linked Immunosorbent Assays for the Insecticide Chlorpyrifos. 1. Monoclonal Antibody Production and Immunoassay Design

  摘要：

  The present work describes the production and characterization of monoclonal antibodies (MAbs) to the insecticide chlorpyrifos and their incorporation into several ELISA configurations. With this aim, a collection of chlorpyrifos haptens was synthesized by introducing appropriate spacers in opposite sites of the analyte molecular structure. From mice immunized with protein conjugates of these haptens, several hybridomas secreting MAbs with the ability to sensitively bind the analyte were obtained. IMAbs showing the highest affinity to chlorpyrifos in homologous assays (I-50 values in the 20-220 nM range) were selected. Hapten heterology involving modifications of the moiety closer to the attachment site provided the highest improvement in sensitivity. MAbs displayed striking differences in their cross-reactivity pattern with structurally related compounds. One MAb (I-50 around 10 nM) was incorporated into other ELISA formats. No remarkable changes of assay characteristics, other than immunoreagent consumption and immunoassay procedure, were found. These ELISAs are potentially very valuable analytical tools for the rapid and sensitive determination of this insecticide.

  DOI：

  10.1021/jf960144q