3-苯氧基苯甲酰基甘氨酸 | 57991-36-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-苯氧基苯甲酰基甘氨酸
• 英文名称: 3-phenoxybenzoic acid-glycine conjugate
• 英文别名: N-(3-phenoxybenzoyl)glycine；3-Phenoxybenzoylglycine；2-[(3-phenoxybenzoyl)amino]acetic acid
• CAS: 57991-36-3
• 化学式: C₁₅H₁₃NO₄
• 分子量: 271.273
• InChiKey: IHTUCGBIFBJPEK-UHFFFAOYSA-N

物化性质

• 沸点：
  504.3±35.0 °C(Predicted)
• 密度：
  1.282±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

ADMET

代谢

3-苯氧基苯甲酰甘氨酸是3-苯氧基苯甲酸的人类已知代谢物。

3-Phenoxybenzoylglycine is a known human metabolite of 3-Phenoxybenozoic acid.

来源:NORMAN Suspect List Exchange

反应信息

• 作为反应物：
  描述：

  3-苯氧基苯甲酰基甘氨酸 在 5%-palladium/activated carbon 、 氢气 、 1-丙基磷酸酐 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 (2S,4R)-4-(difluoromethoxy)-1-[2-[(3-phenoxybenzoyl)amino]acetyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
  参考文献：
  名称：

  PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS

  摘要：

  This disclosure provides compounds, compositions, and methods to treat medical disorders, such as complement-mediated disorders, including complement C1s-mediated disorders.

  公开号：

  WO2024044098A2
• 作为产物：
  描述：

  3-苯氧基苯甲酸 在 氢氧化钾 、 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 以 正己烷 、 氯仿 为溶剂， 反应 1.75h， 生成 3-苯氧基苯甲酰基甘氨酸
  参考文献：
  名称：

  An Enzyme-Linked Immunosorbent Assay for the Detection of Esfenvalerate Metabolites in Human Urine

  摘要：

  The pyrethroids are one of the most heavily used insecticide classes in the world. Sensitive and rapid analytical techniques are needed for assessments of human exposure to these compounds. Highly sensitive and selective ELISAs for glycine conjugates of esfenvalerate key metabolites phenoxybenzoic acid (PBA) and s-fenvalerate acid (sFA) were developed. Rabbits were immunized with either N-(3-phenoxybenzoyl)-4-amino-L-phenylalanine or N-[(S)-4-chloro-2-(methylethyl)benzeneacetyl]-4-amino-L-phenylalanine-fetuin and all sera were screened against numerous coating antigens. The antibodies with the least interference and best sensitivity were optimized and characterized. The I(50)s for sFA-glycine and PBA-glycine in buffer were found to be 0.40 +/- 0.12 mu g/L (1.47 +/- 0.44 nmol/L) and 0.42 +/- 0.18 mu g/L (1.56 +/- 0.67 nmol/L), respectively. Both assays exhibited high selectivity. Little or no cross reactivity to the parent compound and other metabolites was measured. The matrix effects of urine were investigated. Solid-phase extraction (SPE) strategies were used in an attempt to decrease the matrix effects and increase the sensitivity of the overall method. The limit of quantitation (LOQ) for both sFA-glycine and PBA-glycine in urine with SPE is 1.0 mu g/L (3.70 nmol/L). These assays could be used as markers of exposure for monitoring biological samples.

  DOI：

  10.1021/tx990091h

文献信息

• Geminal diphenyl derivatives and their use in immunoassays
  申请人：SYNTEX (U.S.A.) INC.

  公开号：EP0375439A2

  公开（公告）日：1990-06-27

  Methods are disclosed for inactivating interfering binding proteins in a immunoassay for a member of a specific binding pair (sbp). The method comprises including in an assay medium containing a sample suspected of containing an sbp member and an interfering binding protein an effective amount of a water soluble compound having two substituted or unsubstituted phenyl groups linked to a common atom. When the sbp member or its sbp partner has two phenyl groups linked to a common atom, the compound has a number of groups other than hydrogen attached to the phenyl groups and the atom that differs by at least two from the number of such groups on the sbp member. When the sbp member or its sbp partner has two phenyl groups linked to a common atom and the binding protein is not an antibody, the compound has only one group other than hydrogen attached to a phenyl group or the common atom. The methods have particular application in avoiding cross-reactivity of non-analyte materials in a sample with immunochemical reagents used in such assay. The methods have application also in disrupting complexes between an analyte to be determined and other materials so that one can accurately determine the amount of an analyte in a sample.

  本发明公开了在特异性结合对（sbp）成员的免疫测定中灭活干扰结合蛋白的方法。该方法包括在含有疑似含有 sbp 成员和干扰结合蛋白的样品的检测介质中加入有效量的水溶性化合物，该化合物具有两个与一个共同原子相连的取代或未取代的苯基。当 sbp 成员或其 sbp 伙伴有两个苯基与一个共同原子相连时，该化合物中连接到苯基和原子上的除氢以外的基团数目与 sbp 成员上的此类基团数目相差至少两个。当 sbp 成员或其 sbp 伙伴有两个苯基与一个公共原子相连，且结合蛋白不是抗体时，化合物除氢外只有一个基团与苯基或公共原子相连。这些方法特别适用于避免样品中的非分析物与用于此类检测的免疫化学试剂产生交叉反应。这些方法还可用于破坏待测定的分析物与其它物质之间的复合物，从而准确测定样品中分析物的含量。
• Non-Competitive Immunoassays to Detect Small Molecules
  申请人：Gonzalez-Sapienza Gualberto

  公开号：US20080305559A1

  公开（公告）日：2008-12-11

  The present invention provides noncompetitive immunoassays to detect small molecules.
• US5063165A
  申请人：——

  公开号：US5063165A

  公开（公告）日：1991-11-05
• US5256575A
  申请人：——

  公开号：US5256575A

  公开（公告）日：1993-10-26
• US5378636A
  申请人：——

  公开号：US5378636A

  公开（公告）日：1995-01-03