2,5-二氧基-1-吡咯烷基3-[2-(2,6-二甲基-1-哌啶基)乙酰氨基]丙酸酯 | 922182-37-4

• 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
• 中文名称: 2,5-二氧基-1-吡咯烷基3-[2-(2,6-二甲基-1-哌啶基)乙酰氨基]丙酸酯
• 英文名称: 3-[2-(2,6-dimethaneyl-piperidin-1-yl)-ethanoylamino]-propanoic acid-(2,5-dioxo-pyrrolidin-1-yl)ester
• 英文别名: 3-[2-(2,6-dimethyl-piperidin-1-yl)-ethaneoylamino]-propanoic acid-(2,5-dioxo-pyrrolidin-1-yl)ester；3-[2-(2,6-dimethyl-piperidin-1-yl)-ethanoylamino]-propanoic acid-(2,5-dioxo-pyrrolidine-1-yl)ester；3-[2-(2,6-dimethyl-piperidine-1-yl)-ethanoylamino]-propanoic acid-(2,5-dioxo-pyrrolidin-1-yl)ester；3-[2-(2,6-dimethyl-piperidin-1-yl)-ethanoylamino]-propanoic acid-(2,5-dioxo-pyrrolidin-1-yl)ester；3-[2-(2,6-dimethyl-piperidine-1-yl)-acetylamino]-propanoic acid-(2,5-dioxo-pyrrolidin-1-yl) ester；3-[2-(2,6-Dimethyl-piperidin-1-yl)-acetylamino]-propanoic acid-(2,5-dioxo-pyrrolidine-1-yl)ester；3-[2-(2,6-dimethyl-piperidin-1-yl)-acetylamino]-propanoic acid-(2,5-dioxo-pyrrolidin-1-yl)ester；3-[2-(2,6-dimethyl-piperidin-1-yl)-acetylamino]-propionic acid-(2,5-dioxo-pyrrolidin-1-yl)ester；DMPip-βALA-OSu；2,5-Dioxo-1-pyrrolidinyl 3-[2-(2,6-Dimethyl-1-piperidyl)acetamido]propanoate；(2,5-dioxopyrrolidin-1-yl) 3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoate
• CAS: 922182-37-4
• 化学式: C₁₆H₂₅N₃O₅
• 分子量: 339.392
• InChiKey: PTBUVACJFVXQTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  96
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,5-二氧基-1-吡咯烷基3-[2-(2,6-二甲基-1-哌啶基)乙酰氨基]丙酸酯 、 2-(2-pyridinyldisulfanyl)ethanamine hydrochloride 在 三乙胺 作用下， 以70%的产率得到DMPip-βALA-DTP
  参考文献：
  名称：

  [EN] MASS LABELS
  [FR] MARQUEURS DE MASSE

  摘要：

  一种用于质谱检测生物分子的反应性质量标记，该标记包括用于标记巯基或羰基的反应性官能团。还提供了一种用于质谱检测生物分子的反应性质量标记，其中质量标记包括以下结构：X-L-M-S-Re，其中X是质量标记基团，L是可裂解的连接剂，M是质量归一化基团，S是质量系列修饰基团，包括以下基团：式（I），其中J是C=O，K是NH，n为2或J和K都是CH2且n为1，m至少为1；Re是用于将质量标记附加到生物分子的反应性官能团。

  公开号：

  WO2011036059A1

文献信息

• ISOBARIC MASS LABELS
  申请人：ELECTROPHORETICS LIMITED

  公开号：US20180364244A1

  公开（公告）日：2018-12-20

  The present invention relates to a set of two or more mass labels, wherein each mass label comprises the formula: X-L-M-Re wherein X is a reporter moiety having an exact mass, L is a bond cleavable by collision in a mass spectrometer, M is a mass modifier, and Re is a) a reactive functionality for attaching the mass label to an analyte or b) the analyte, wherein each mass label in the set has an integer mass, wherein each mass label in the set has the same integer mass, and wherein the set comprises two or more subsets of mass labels, each subset comprising one, two or more mass labels, and wherein, when the subset comprises two or more mass labels, the exact mass of the reporter moiety X of each mass label in the subset is different from the exact mass of the reporter moiety X of the mass labels in the same subset and in all other subsets, and wherein each mass label is distinguishable by mass spectrometry.

  本发明涉及一组两个或更多质量标签，其中每个质量标签包括以下公式：X-L-M-Re，其中X是具有精确质量的报告基团，L是在质谱仪中碰撞可裂解的键，M是质量修饰剂，Re是a）用于将质量标签连接到分析物的反应性功能或b）分析物，其中集合中的每个质量标签具有整数质量，集合中的每个质量标签具有相同的整数质量，并且该集合包括两个或更多质量标签的子集，每个子集包括一个、两个或更多质量标签，当子集包括两个或更多质量标签时，每个子集中每个质量标签的报告基团X的精确质量与同一子集中和所有其他子集中质量标签的报告基团X的精确质量不同，并且每个质量标签可通过质谱法进行区分。
• Mass Labels
  申请人：Hamon Christian

  公开号：US20100178710A1

  公开（公告）日：2010-07-15

  A mass label for labelling and detecting a biological molecule by mass spectroscopy, which label comprises the following structure: X-L-M wherein X is a mass marker moiety comprising the following group: formula (I), wherein the cyclic unit is aromatic or aliphatic and comprises from 0-3 double bonds independently between any two adjacent atoms; each Z is independently N, N(R 1 ), C(R 1 ), CO, CO(R 1 ), C(R 1 ) 2 , O or S; X is N, C or C(R 1 ); each R 1 is independently H, a substituted or unsubstituted straight or branched C 1 -C 6 alkyl group, a substituted or unsubstituted aliphatic cyclic group, a substituted or unsubstituted aromatic group or a substituted or unsubstituted heterocyclic group; and y is an integer from 0-10, L is a cleavable linker comprising an amide bond and M is a mass normalization moiety.

  一种用于质谱法标记和检测生物分子的质量标记，该标记包括以下结构：X-L-M，其中X是质量标记基团，包括以下组：公式（I），其中环状单元是芳香族或脂肪族，并且在任意两个相邻原子之间独立地包含0-3个双键；每个Z独立地是N，N（R1），C（R1），CO，CO（R1），C（R1）2，O或S；X为N，C或C（R1）；每个R1独立地是H，取代或未取代的直链或支链C1-C6烷基，取代或未取代的脂肪环状基团，取代或未取代的芳香族基团或取代或未取代的杂环基团；y为0-10的整数，L是一个可断链的连接基团，包括一个酰胺键，M是一个质量归一化基团。
• Mass labels
  申请人：ELECTROPHORETICS LIMITED

  公开号：US10697976B2

  公开（公告）日：2020-06-30

  The present invention provides a method for labelling one or more analytes in a sample, the method comprising: a) contacting the sample with one or more bifunctional linker reagents having the general formula Re1-L1-Re2, wherein Re1 is a first reactive group, L1 is a linker moiety and Re2 is a second reactive group, wherein Re1 reacts with an analyte to form a modified analyte; and b) contacting the sample with one or more mass labels, wherein Re2 of the bifunctional linker attached to the analyte reacts with a mass label to form a labelled analyte, wherein each mass label is relatable to an analyte by mass spectrometry.

  本发明提供了一种标记样品中一种或多种分析物的方法，该方法包括a) 将样品与一种或多种具有通式 Re1-L1-Re2 的双功能连接体试剂接触，其中 Re1 是第一反应基团，L1 是连接体分子，Re2 是第二反应基团，其中 Re1 与分析物反应形成修饰的分析物；b) 将样品与一个或多个质量标签接触，其中附着在分析物上的双功能连接体的 Re2 与质量标签反应，形成标记的分析物，其中每个质量标签可通过质谱法与分析物相关。
• Mass spectrometric quantitation
  申请人：Electrophoretics Limited

  公开号：US10976321B2

  公开（公告）日：2021-04-13

  Provided is a method of assaying for an analyte, including combining a test sample having the analyte, with a calibration sample having at least two different aliquots of the analyte, each aliquot having a different known quantity of the analyte. The test sample and each aliquot are differentially labeled with one or more isobaric mass labels each with a mass spectrometrically distinct mass marker group, such that the test sample and each aliquot of the calibration sample can be distinguished by mass spectrometry. The method further includes determining by mass spectrometry the quantity of analyte in the test sample and in each aliquot, and calibrating the quantity of analyte in the test sample against known and determined quantities of analytes in the aliquots.

  本发明提供了一种化验分析物的方法，包括将含有分析物的测试样品与含有至少两种不同等分分析物的校准样品相结合，每种等分分析物具有不同的已知量。测试样品和每个等分样品都用一个或多个等位质量标签进行了不同标记，每个等位质量标签都具有质谱上不同的质量标记基团，这样测试样品和校准样品的每个等分样品就可以通过质谱进行区分。该方法还包括通过质谱法确定测试样品和各等分样品中分析物的数量，并根据已知和确定的等分样品中分析物的数量校准测试样品中分析物的数量。
• Isobaric mass labels
  申请人：ELECTROPHORETICS LIMITED

  公开号：US11360095B2

  公开（公告）日：2022-06-14

  The present invention relates to a set of two or more mass labels, wherein each mass label comprises the formula: X-L-M-Re wherein X is a reporter moiety having an exact mass, L is a bond cleavable by collision in a mass spectrometer, M is a mass modifier, and Re is a) a reactive functionality for attaching the mass label to an analyte or b) the analyte, wherein each mass label in the set has an integer mass, wherein each mass label in the set has the same integer mass, and wherein the set comprises two or more subsets of mass labels, each subset comprising one, two or more mass labels, and wherein, when the subset comprises two or more mass labels, the exact mass of the reporter moiety X of each mass label in the subset is different from the exact mass of the reporter moiety X of the mass labels in the same subset and in all other subsets, and wherein each mass label is distinguishable by mass spectrometry.

  本发明涉及一组两个或两个以上的质量标签，其中每个质量标签都包含以下式子： X-L-M-Re 其中 X 是具有精确质量的报告分子，L 是可在质谱仪中通过碰撞裂解的键，M 是质量修饰剂，Re 是 a) 用于将质量标签附着到被分析物上的反应官能团或 b) 被分析物，其中该组质量标签中的每个质量标签具有整数质量，其中该组质量标签中的每个质量标签具有相同的整数质量，其中该组质量标签包括两个或多个质量标签子集、每个子集包括一个、两个或多个质量标签，其中，当子集包括两个或多个质量标签时，子集中每个质量标签的报告分子 X 的确切质量不同于同一子集和所有其他子集中质量标签的报告分子 X 的确切质量，其中每个质量标签可通过质谱法区分。