5-(2,5-dichlorophenyl)pentanoic acid | 168135-67-9

• 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: 5-(2,5-dichlorophenyl)pentanoic acid
• CAS: 168135-67-9
• 化学式: C₁₁H₁₂Cl₂O₂
• 分子量: 247.121
• InChiKey: OFIMEPFAMBAESY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-羟基丁二酰亚胺 、 5-(2,5-dichlorophenyl)pentanoic acid 在 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 5-(2,5-Dichloro-phenyl)-pentanoic acid 2,5-dioxo-pyrrolidin-1-yl ester
  参考文献：
  名称：

  A Monoclonal Immunoassay for the Coplanar Polychlorinated Biphenyls

  摘要：

  Polychlorinated biphenyls (PCBs) are ubiquitous environmental pollutants with diverse toxic, teratogenic, reproductive, immunotoxic, and tumorigenic effects, Three of the least abundant of the 209 PCB isomers (congeners) are the most toxic and most difficult to quantify, These are 3,4,3',4'-tetrachlorobiphenyl, 3,4,3',4',5'-pentachlorobiphetayl, and 3,4,5,3',4',5'-hexachlorobiphenyl (IUPAC No, 77, 126, and 169, respectively), An immunizing hapten was designed to retain the 3,4,3',4' chlorine-substitution pattern and coplanarity characteristic of these toxic congeners, The optimal competitors for immunoassay were weaker binding distinctive single-ring fragments of the PCBs, A monoclonal antibody designated S2B1 was derived and used in direct (antibody-capture) competitive enzyme immunoassays (EIAs). The EIAs are highly specific for non-ortho-substituted congeners and do not recognize the more prevalent but much less toxic noncoplanar PCB congeners or 2,3,7,8-tetrachlorodibenzo-p-dioxin, 2,3,7,8-tetrachlorodibenzofuran, or dichlorobenzenes, Hapten and competitor design for this assay suggests a basis for development of sensitive EIAs for other classes of PCB congeners.

  DOI：

  10.1021/ac00117a003
• 作为产物：
  描述：

  Methyl 5-(2,5-Dichlorophenyl)pentanoate 、 氢氧化锂 在 盐酸 、 四氢呋喃 、 甲醇 、 乙酸乙酯 、 水 、 Brine 、 Sodium sulfate-III 、 silica gel 、 Toluene hexane 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 48.0h， 以Flash chromatography (silica gel; hexane/toluene (19/1) with 1% acetic acid) of the residue gave 725 mg (70%) of a white solid的产率得到5-(2,5-dichlorophenyl)pentanoic acid
  参考文献：
  名称：

  Immunoassay for toxic congeners of polychlorinated biphenyls

  摘要：

  本发明提供了一种用于定性或定量检测测试样品中多氯联苯毒性同系物的方法。该方法包括以下步骤：提供已知数量的抗体以检测毒性多氯联苯同系物；提供一个竞争物质，它会与毒性多氯联苯同系物竞争地结合到抗体上，并且具有比抗体对毒性多氯联苯同系物更低的亲和力；将抗体和竞争物质与测试样品一起孵育；检测测试样品中毒性多氯联苯毒性同系物的存在。

  公开号：

  US06204005B1

文献信息

• Immunoassay for polychlorinated biphenyls
  申请人：Ecochem Research, Inc.

  公开号：US05538852A1

  公开（公告）日：1996-07-23

  A method for determining qualitatively or quantitatively the presence of polychlorinated biphenyl in a test sample. The method includes the steps of: providing a known quantity of antibodies to polychlorinated biphenyl; providing a competitor that will bind to said antibodies in competition with polychlorinated biphenyl and having a lower affinity to said antibodies than said antibodies have to polychlorinated biphenyl; incubating said antibodies and said competitor in the presence of a test sample; and detecting the presence of polychlorinated biphenyl in the test sample. The competitor used in this method has one of the following structures: ##STR1## wherein A is selected from the group consisting of --NH--, --S--, --O--, --CH.sub.2 --, --NH--C(O)--, --C(O)--NH--, --NH--C(O)--NH--, --NH--C(S)--NH--, --N(CH.sub.3)--, --N(CH.sub.3).sub.2 --, and --O--C(S)--NH--; B is preferably a single bond or an organic or inorganic group; C is selected from the group consisting of --CO.sub.2 H, --NH.sub.2, --CHO, and --OH; Y and Y' are selected from the group consisting of --H and --C1; n=0-5; p=0-3; and q=0-4.

  一种用于定性或定量检测测试样品中多氯联苯存在的方法。该方法包括以下步骤：提供已知量的多氯联苯抗体；提供一种竞争剂，该竞争剂将与多氯联苯竞争地结合到抗体上，并且对抗体的亲和力低于对多氯联苯的亲和力；在测试样品中孵育抗体和竞争剂；检测测试样品中多氯联苯的存在。该方法中使用的竞争剂具有以下结构之一：##STR1## 其中A选自--NH--，--S--，--O--，--CH.sub.2--，--NH--C(O)--，--C(O)--NH--，--NH--C(O)--NH--，--NH--C(S)--NH--，--N(CH.sub.3)--，--N(CH.sub.3).sub.2--和--O--C(S)--NH--的群组；B优选为单键或有机或无机基团；C选自--CO.sub.2H，--NH.sub.2，--CHO和--OH的群组；Y和Y'选自--H和--C1的群组；n=0-5；p=0-3；q=0-4。
• High sensitivity immunoassay for polychlorinated dibenzo-p-dioxins and
  申请人：Ecochem Research, Inc.

  公开号：US05674697A1

  公开（公告）日：1997-10-07

  The present invention provides a method for determining qualitatively or quantitatively the presence of polychlorinated dibenzodioxins and polychlorinated dibenzofurans in a test sample. The method includes the steps of: providing a known quantity of antibodies to the polychlorinated dibenzodioxins and polychlorinated dibenzofurans; providing a competitor that will bind to said antibodies in competition with the polychlorinated dibenzodioxins and polychlorinated dibenzofurans and having a lower affinity to said antibodies than said antibodies have to the polychlorinated dibenzodioxins and polychlorinated dibenzofurans; incubating said antibodies and said competitor in the presence of a test sample; and detecting the presence of the polychlorinated dibenzodioxins and polychlorinated dibenzofurans in the test sample. The invention also provides methods of using the competitor of the present invention to detect qualitatively or quantitatively polycyclic aromatic compounds.

  本发明提供了一种方法，用于定性或定量检测测试样品中的多氯联苯二噁英和多氯联苯二呋酮的存在。该方法包括以下步骤：提供已知数量的多氯联苯二噁英和多氯联苯二呋酮抗体；提供一个竞争物质，该竞争物质将与多氯联苯二噁英和多氯联苯二呋酮竞争地结合到上述抗体上，并且与上述抗体相比，其对多氯联苯二噁英和多氯联苯二呋酮的亲和力较低；在测试样品的存在下孵育上述抗体和上述竞争物质；并检测测试样品中多氯联苯二噁英和多氯联苯二呋酮的存在。本发明还提供了使用本发明的竞争物质检测多环芳烃化合物的定性或定量方法。
• US5538852A
  申请人：——

  公开号：US5538852A

  公开（公告）日：1996-07-23
• US5674697A
  申请人：——

  公开号：US5674697A

  公开（公告）日：1997-10-07
• US6204005B1
  申请人：——

  公开号：US6204005B1

  公开（公告）日：2001-03-20