4-{4-[2,2,2-Trichloro-1-(4-chloro-phenyl)-ethyl]-phenyl}-butyric acid | 405112-20-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-{4-[2,2,2-Trichloro-1-(4-chloro-phenyl)-ethyl]-phenyl}-butyric acid
• 英文别名: 4-{4-[2,2,2-Trichloro-1-(4-chlorophenyl)ethyl]phenyl}butanoic acid；4-[4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]phenyl]butanoic acid
• CAS: 405112-20-1
• 化学式: C₁₈H₁₆Cl₄O₂
• 分子量: 406.136
• InChiKey: CGPWJMINZNLPIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  水合氯醛 、 氯苯 、 4-苯基丁酸 在 硫酸 作用下， 反应 1.5h， 以1 g的产率得到4-{4-[2,2,2-Trichloro-1-(4-chloro-phenyl)-ethyl]-phenyl}-butyric acid
  参考文献：
  名称：

  Hapten Synthesis and Production of Monoclonal Antibodies to DDT and Related Compounds

  摘要：

  This work describes the production and characterization of monoclonal antibodies (MAbs) to the organochlorine insecticide DDT and their incorporation into several ELISA. configurations. A collection of DDT haptens was synthesized by introducing appropriate spacers at two sites of the analyte molecular structure. From mice immunized with hapten-protein conjugates, MAbs with I-50 values to p,p'-DDT in the 2-11 nM range in homologous conjugate-coated assays were obtained. According to their cross-reactivity pattern with DDT isomers and metabolites, MAbs can be classified as class-specific or DDT-specific antibodies. Both types of MAbs were obtained from mice immunized with the same hapten-protein conjugate simply by applying a different selection criterion in the screening of fusion supernatants. These immunoassays are potentially very valuable analytical tools for the rapid and sensitive determination of DDT and congeners in food and the environment and for monitoring human exposure to these ubiquitous and toxic compounds.

  DOI：

  10.1021/jf9704219

文献信息

• Hapten Synthesis and Production of Monoclonal Antibodies to DDT and Related Compounds
  作者：Antonio Abad、Juan J. Manclús、Fatemeh Mojarrad、Josep V. Mercader、Miguel A. Miranda、Jaime Primo、Vicente Guardiola、Angel Montoya

  DOI：10.1021/jf9704219

  日期：1997.9.1

  This work describes the production and characterization of monoclonal antibodies (MAbs) to the organochlorine insecticide DDT and their incorporation into several ELISA. configurations. A collection of DDT haptens was synthesized by introducing appropriate spacers at two sites of the analyte molecular structure. From mice immunized with hapten-protein conjugates, MAbs with I-50 values to p,p'-DDT in the 2-11 nM range in homologous conjugate-coated assays were obtained. According to their cross-reactivity pattern with DDT isomers and metabolites, MAbs can be classified as class-specific or DDT-specific antibodies. Both types of MAbs were obtained from mice immunized with the same hapten-protein conjugate simply by applying a different selection criterion in the screening of fusion supernatants. These immunoassays are potentially very valuable analytical tools for the rapid and sensitive determination of DDT and congeners in food and the environment and for monitoring human exposure to these ubiquitous and toxic compounds.