1-[4-(2,4-dinitro-benzenesulfonyl)-phenyl]-ethanone | 75317-06-5

• 英文名称: 1-[4-(2,4-dinitro-benzenesulfonyl)-phenyl]-ethanone
• 英文别名: 1-[4-(2,4-Dinitro-benzolsulfonyl)-phenyl]-aethanon；1-[4-(2,4-Dinitrophenyl)sulfonylphenyl]ethanone
• CAS: 75317-06-5
• 化学式: C₁₄H₁₀N₂O₇S
• 分子量: 350.309
• InChiKey: VKIUOHNDYOHSRA-UHFFFAOYSA-N

物化性质

• 沸点：
  580.8±50.0 °C(Predicted)
• 密度：
  1.503±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  151
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1-[4-(2,4-dinitro-benzenesulfonyl)-phenyl]-ethanone 在 氢氧化钾 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 苯酚,2,4-二硝基-,盐钾 、 Potassium; 4-acetyl-benzenesulfinate
  参考文献：
  名称：

  Ivanov, A. V.; Babushkin, V. N.; Gitis, S. S., Journal of general chemistry of the USSR, 1985, vol. 55, # 7, p. 1396 - 1399

  摘要：

  DOI：
• 作为产物：
  描述：

  4'-巯基苯乙酮 在 乙醇 、 双氧水 、 碳酸氢钠 、 溶剂黄146 作用下， 生成 1-[4-(2,4-dinitro-benzenesulfonyl)-phenyl]-ethanone
  参考文献：
  名称：

  Leandri; Tundo, Annali di Chimica, 1954, vol. 44, p. 264,267,268

  摘要：

  DOI：

文献信息

• [EN] SUBSTITUTED ACETOPHENOME AS MS REAGENTS<br/>[FR] ACETOPHENONES SUBSTITUEES UTILISEES COMME AGENTS DE SPECTROMETRIE DE MASSE
  申请人：AMERSHAM BIOSCIENCES AB

  公开号：WO2005110955A1

  公开（公告）日：2005-11-24

  The invention provides reagents and kits for introducing a fixed charge to the side-chain of methionine, and peptides and proteins containing methionine, for selective identification by tandem mass spectrometry. The reagents are based on substituted acetophenones according to the following formula: The reagents of the present invention may also be used for differential quantitation of peptide concentrations between two different samples, by incorporation of stable isotope labels to the reagent, to yield a 'light' form (containing only natural isotopes), and a 'heavy' form by incorporating stable isotope labels into the substituent. These reagents give a mass difference of at least 8 Daltons and up to 13 Daltons between 'light' and 'heavy' reagents.

  该发明提供了用于向蛋氨酸的侧链引入固定电荷的试剂和试剂盒，以及含有蛋氨酸的肽和蛋白质，用于通过串联质谱进行选择性识别。这些试剂基于以下公式的取代苯乙酮：该发明的试剂还可用于在两个不同样本之间的肽浓度差异定量，通过将稳定同位素标记纳入试剂，产生一个“轻”形式（仅含天然同位素），并通过将稳定同位素标记纳入取代物产生一个“重”形式。这些试剂在“轻”和“重”试剂之间提供至少8道尔顿至13道尔顿的质量差异。
• Method for analysing amino acids, peptides and proteins
  申请人：Reid Gavin

  公开号：US20060094121A1

  公开（公告）日：2006-05-04

  The invention provides methods, reagents and kits for amino acid, peptide and protein identification, differential quantitation and for the analysis of post translational modification and cross-linking status, comprising: derivatizing a mixture of amino acids peptides or proteins, to form at least one amino acid peptide or protein containing a fixed-charge ion, other than at the C-terminal or N-terminal end thereof; introducing the mixture of amino acids peptides or proteins containing the fixed charge derivatized amino acid peptide or protein to a mass spectrometer; passing the mixture of amino acids peptides or proteins containing the fixed charge derivatized amino acid peptide or protein through a first mass resolving spectrometer to select precursor protein or peptide ions having a first desired mass-to-charge ratio; subjecting the precursor ions of the first mass to charge ratio to dissociation to form a product ion having a second mass-to-charge ratio that is characteristic of a fragmentation occurring at a site adjacent to the fixed charge; and detecting the product ions having the second mass-to-charge ratio. The product ion having the second mass-to-charge ratio may be either a product ion formed by neutral loss of the fixed charge from the precursor ion, or a product ion formed by charged loss of the fixed charge from the precursor ion.

  本发明提供了用于氨基酸、肽和蛋白质鉴定、差异定量以及后转录后修饰和交联状态分析的方法、试剂和试剂盒，包括：将混合的氨基酸、肽或蛋白质衍生化，形成至少一个含有固定电荷离子的氨基酸、肽或蛋白质，除了其C-末端或N-末端；将含有固定电荷衍生化氨基酸、肽或蛋白质的混合物引入质谱仪；通过第一质量分辨质谱仪对含有固定电荷衍生化氨基酸、肽或蛋白质的混合物进行筛选，以选择具有第一所需质荷比的前体蛋白质或肽离子；将第一质荷比的前体离子进行解离，形成具有第二质荷比的产物离子，其特征是在固定电荷相邻的位置发生了碎片化；检测具有第二质荷比的产物离子。第二质荷比的产物离子可能是由前体离子失去固定电荷形成的产物离子，也可能是由带电失去固定电荷的前体离子形成的产物离子。
• Efremov, Yu. A.; Popova, A. G.; Khmel'nitskii, R. A., Journal of Organic Chemistry USSR (English Translation), 1980, p. 944 - 949
  作者：Efremov, Yu. A.、Popova, A. G.、Khmel'nitskii, R. A.、Kaminskii, A. Ya、Fedyainov, N. V.

  DOI：——

  日期：——
• Babushkin, V. N.; Ivanov, A. V.; Gitis, S. S., Journal of general chemistry of the USSR, 1988, vol. 58, # 7, p. 1457 - 1460
  作者：Babushkin, V. N.、Ivanov, A. V.、Gitis, S. S.、Andrianov, V. F.、Kaminskii, A. Ya.

  DOI：——

  日期：——
• METHOD FOR ANALYSING AMINO ACIDS, PEPTIDES AND PROTEINS USING MASS SPECTROSCOPY OF FIXED CHARGE-MODIFIED DERIVATES
  申请人：LUDWIG INSTITUTE FOR CANCER RESEARCH

  公开号：EP1565752A2

  公开（公告）日：2005-08-24