2-(N-(4-propylbenzyl)-2-(4-propylphenyl)acetamido)acetic acid | 1360803-36-6

• 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: 2-(N-(4-propylbenzyl)-2-(4-propylphenyl)acetamido)acetic acid
• 英文别名: 2-(N-(4-propylbenzyl)-2-(4-propylphenyl)acetamido)-acetic acid；2-[[2-(4-propylphenyl)acetyl]-[(4-propylphenyl)methyl]amino]acetic acid
• CAS: 1360803-36-6
• 化学式: C₂₃H₂₉NO₃
• 分子量: 367.488
• InChiKey: KHZINGOYVUOSRQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  叔丁基[(4-乙炔基苯基)甲氧基]二甲基硅烷 在 正丁基锂 、 palladium 10% on activated carbon 、 四丁基氟化铵 、 水 、 氢气 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三乙胺 、 N,N-二异丙基乙胺 、 sodium iodide 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 、 二氯甲烷 、 水 、 乙酸乙酯 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， -78.0~20.0 ℃ 、2.0 MPa 条件下， 反应 30.08h， 生成 2-(N-(4-propylbenzyl)-2-(4-propylphenyl)acetamido)acetic acid
  参考文献：
  名称：

  EP2610243

  摘要：

  公开号：

文献信息

• Labeling Agent and Methods for Simultaneous Sequencing and Quantification of Multiple Peptides and Proteins Using the Same
  申请人：Shin Seung Koo

  公开号：US20130183704A1

  公开（公告）日：2013-07-18

  The present invention provides a compound that can utilize hydrogen isotope and, at the same time, can quantify multiplexed samples at one time, as well as decreasing the cost for synthesis of the labeling agent. In addition, the present invention provides a novel method for quantitatively analyzing protein and peptide analytes having different quantities form each other using the labeling agent, wherein y-type fragment ions having a high mass which comprises the analyte remained after coupling the labeling agent with the analyte and then removing a part of the labeling agent through tandem mass spectrometry are utilized to conduct the quantitative analysis.

  本发明提供了一种化合物，可以利用氢同位素，同时可以一次量化多个样品，同时降低标记试剂的合成成本。此外，本发明提供了一种新的方法，使用标记试剂定量分析具有不同数量的蛋白质和肽分析物，其中利用串联质谱法去除部分标记试剂后，残留的包含分析物的高质量y型碎片离子用于进行定量分析。
• Labeling agent and methods for simultaneous sequencing and quantification of multiple peptides and proteins using the same
  申请人：Shin Seung Koo

  公开号：US08809012B2

  公开（公告）日：2014-08-19

  The present invention provides a compound that can utilize hydrogen isotope and, at the same time, can quantify multiplexed samples at one time, as well as decreasing the cost for synthesis of the labeling agent. In addition, the present invention provides a novel method for quantitatively analyzing protein and peptide analytes having different quantities form each other using the labeling agent, wherein y-type fragment ions having a high mass which comprises the analyte remained after coupling the labeling agent with the analyte and then removing a part of the labeling agent through tandem mass spectrometry are utilized to conduct the quantitative analysis.

  本发明提供了一种化合物，可以利用氢同位素，同时可以一次定量多重样品，并降低标记试剂的合成成本。此外，本发明提供了一种新的方法，使用标记试剂定量分析具有不同数量的蛋白质和肽分析物，其中利用串联质谱法去除部分标记试剂后，含有分析物的高质量y型片段离子用于进行定量分析。
• LABELING AGENT AND AMINO ACID SEQUENCE USING SAME, AND METHOD FOR PERFORMING SIMULTANEOUS QUANTITATIVE ANALYSIS OF MULTIPLE PROTEINS
  申请人：Postech Academy-industry Foundation

  公开号：EP2610243A2

  公开（公告）日：2013-07-03

  The present invent ion provides a compound that can utilize hydrogen isotope and, at the same time, can quantify multiplexed samples at one time, as well as decreasing the cost for synthesis of the labeling agent. In addition, the present invention provides a novel method for quantitatively analyzing protein and peptide analytes having different quantities form each other using the labeling agent, wherein y-type fragment ions having a high mass which comprises the analyte remained after coupling the labeling agent with the analyte and then removing a part of the labeling agent through tandem mass spectrometry are utilized to conduct the quantitative analysis.

  本发明提供了一种既能利用氢同位素，又能一次性对多重样品进行定量分析，还能降低标记剂合成成本的化合物。此外，本发明还提供了一种利用标记剂对数量不同的蛋白质和肽类分析物进行定量分析的新方法，其中利用标记剂与分析物偶联后，通过串联质谱法去除部分标记剂后残留的高质Y型片段离子进行定量分析。
• US8809012B2
  申请人：——

  公开号：US8809012B2

  公开（公告）日：2014-08-19
• [EN] LABELING AGENT AND AMINO ACID SEQUENCE USING SAME, AND METHOD FOR PERFORMING SIMULTANEOUS QUANTITATIVE ANALYSIS OF MULTIPLE PROTEINS<br/>[FR] AGENT DE MARQUAGE ET SÉQUENCE D'ACIDES AMINÉS L'UTILISANT, ET PROCÉDÉ POUR RÉALISER UNE ANALYSE QUANTITATIVE SIMULTANÉE DE MULTIPLES PROTÉINES
  申请人：POSTECH ACAD IND FOUND

  公开号：WO2012026743A2

  公开（公告）日：2012-03-01

  수소 동위원소를 활용함과 동시에 라벨링제의 합성 비용은 줄이면서도 한 번에 다중의 시료를 정량할 수 있는 화합물을 제공한다. 또한, 본 발명은 라벨링제를 이용하여 서로 양이 다른 단백질 및 펩티드 분석체를 정량분석하는 방법을 제공하는 것으로, 라벨링제를 분석체에 결합시킨 후 탄뎀질량분석을 통해 라벨링제의 일부만이 떨어져 나가고 남은, 분석체를 포함하는 큰 질량의 y-타입 조각이온을 활용하여 정량분석을 수행하는 새로운 방법을 제공하는 것이다.