methyl 6-[5-ethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-3-nicotinamido]hexanoate | 178612-02-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl 6-[5-ethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-3-nicotinamido]hexanoate
• 英文别名: methyl 6-[5-ethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinamido]hexanoate；methyl 6-[[5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carbonyl]amino]hexanoate
• CAS: 178612-02-7
• 化学式: C₂₂H₃₂N₄O₄
• 分子量: 416.52
• InChiKey: VCYPLWQBQAPZID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  30
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl 6-[5-ethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-3-nicotinamido]hexanoate 在 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 生成 6-[5-ethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-3-nicotinamido]hexanoic acid
  参考文献：
  名称：

  Haptens and Monoclonal Antibodies for Immunoassay of Imidazolinone Herbicides

  摘要：

  A set of haptens structurally resembling the herbicide imazethapyr (PURSUIT) was synthesized and used to derive monoclonal antibodies (MAbs) and direct and indirect competition enzyme immunoassays (ElAs) which could detect imazethapyr, imazaquin (SCEPTER), imazapic (CADRE), and imazamox (RAPTOR) in the 3-30 ng/mL (parts per billion) range, and imazapyr (ARSENAL) and imazamethabenz-methyl (ASSERT) in the 300-500 ppb range. Two MAbs, 3A2 and 3A5, had affinities of 10-75 nM for imazethapyr. MAbs 1A5, 1D2, and 3A5 were specific for the S isomers of the herbicides. Some MAbs were stable in solutions containing up to 15% methanol and 5% acetonitrile in indirect ElAs. Plates coated with hapten conjugates for indirect EIA could be stored frozen. Selectivity for the imidazolinones by some MAbs varied with different coating conjugates. These MAbs and haptens should prove useful in immunochemical analysis and residue recovery methods for imazethapyr and other imidazolinone, herbicides.

  DOI：

  10.1021/jf011481o
• 作为产物：
  描述：

  6-氨基己酸甲酯 盐酸盐 、 7-ethyl-2-isopropyl-2-methyl-5H-imidazo[1',2':1,2]pyrrolo[3,4-b]pyridine-3(2H),5-dione 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 20.5h， 生成 methyl 6-[5-ethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-3-nicotinamido]hexanoate
  参考文献：
  名称：

  Haptens and Monoclonal Antibodies for Immunoassay of Imidazolinone Herbicides

  摘要：

  A set of haptens structurally resembling the herbicide imazethapyr (PURSUIT) was synthesized and used to derive monoclonal antibodies (MAbs) and direct and indirect competition enzyme immunoassays (ElAs) which could detect imazethapyr, imazaquin (SCEPTER), imazapic (CADRE), and imazamox (RAPTOR) in the 3-30 ng/mL (parts per billion) range, and imazapyr (ARSENAL) and imazamethabenz-methyl (ASSERT) in the 300-500 ppb range. Two MAbs, 3A2 and 3A5, had affinities of 10-75 nM for imazethapyr. MAbs 1A5, 1D2, and 3A5 were specific for the S isomers of the herbicides. Some MAbs were stable in solutions containing up to 15% methanol and 5% acetonitrile in indirect ElAs. Plates coated with hapten conjugates for indirect EIA could be stored frozen. Selectivity for the imidazolinones by some MAbs varied with different coating conjugates. These MAbs and haptens should prove useful in immunochemical analysis and residue recovery methods for imazethapyr and other imidazolinone, herbicides.

  DOI：

  10.1021/jf011481o

文献信息

• Imidazolinones
  申请人：American Cyanamid Company

  公开号：US05693658A1

  公开（公告）日：1997-12-02

  The present invention provides an imidazolinone hapten having the structural formula ##STR1## Further provided are an antigen and an enzyme conjugate which are prepared from the imidazolinone hapten. The haptens, antigens and enzyme conjugates provided are useful in immunoassays for determining the presence and concentration of an imidazolinone compound in the presence of one or more other imidazolinone compounds.

  本发明提供了一种具有以下结构式的咪唑啉酮半抗原：##STR1## 进一步提供了由咪唑啉酮半抗原制备的抗原和酶偶联物。所提供的半抗原、抗原和酶偶联物在测定存在于一个或多个其他咪唑啉酮化合物中的咪唑啉酮化合物的存在和浓度的免疫测定中非常有用。
• Imidazolinone haptens and antigens and enzyme conjugates prepared therefrom
  申请人：American Cyanamid Company

  公开号：US20010020087A1

  公开（公告）日：2001-09-06

  The present invention provides an imidazolinone hapten having the structural formula 1 Further provided are an antigen and an enzyme conjugate which are prepared from the imidazolinone hapten. The haptens, antigens and enzyme conjugates provided are useful in immunoassays for determining the presence and concentration of an imidazolinone compound in the presence of one or more other imidazolinone compounds.

  本发明提供了一种具有结构式1的咪唑啉酮半抗原。此外，还提供了由咪唑啉酮半抗原制备的抗原和酶偶联物。所提供的半抗原、抗原和酶偶联物在测定存在一种或多种其他咪唑啉酮化合物的情况下，用于测定咪唑啉酮化合物的存在和浓度的免疫测定中。
• Stereospecific antibodies for imidazolinone herbicides
  申请人：The Regents of the University of California

  公开号：EP1043336A2

  公开（公告）日：2000-10-11

  Provided are monoclonal antibodies and derivatives, including single-chain Fv antibodies, with chiral specificity for an enantiomer of an imidazolinone herbicide. Stereospecific monoclonal antibodies and derivatives in accordance with the present invention may be used in methods for the analysis, separation and purification of chiral isomers of imidazolinone herbicides, as well as in immunoaffinity chromatography separation columns for chiral isomers of imidazolinone herbicides, and other immunoaffinity assays.

  本发明提供了对咪唑啉酮类除草剂的对映体具有手性特异性的单克隆抗体及其衍生物，包括单链 Fv 抗体。符合本发明的立体特异性单克隆抗体和衍生物可用于咪唑啉酮类除草剂手性异构体的分析、分离和纯化方法，以及咪唑啉酮类除草剂手性异构体的免疫亲和层析分离柱和其他免疫亲和检测。
• US5693658A
  申请人：——

  公开号：US5693658A

  公开（公告）日：1997-12-02
• US6407217B1
  申请人：——

  公开号：US6407217B1

  公开（公告）日：2002-06-18