4-(4-硝基苯氧基)丁烷-1,2-二醇 | 40742-23-2

• 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: 4-(4-硝基苯氧基)丁烷-1,2-二醇
• 英文名称: (+/-)-4-(4-nitrophenyloxy)-1,2-butanediol
• 英文别名: (+/-)-4-(p-nitrophenoxy)-1,2-butanediol；1,2-dihydroxy-4-(4-nitrophenyloxy)-butane；4-(4-Nitrophenoxy)butane-1,2-diol
• CAS: 40742-23-2
• 化学式: C₁₀H₁₃NO₅
• 分子量: 227.217
• InChiKey: MBTUVBRWDRJUAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  95.5
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2909499000

反应信息

• 作为反应物：
  描述：

  4-(4-硝基苯氧基)丁烷-1,2-二醇 在 氨 、 三乙胺 、 间氯过氧苯甲酸 、 ytterbium(III) triflate 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 26.0h， 生成 (+/-)-4-(p-nitrophenoxy)-1-acetamido-2-hydroxybutane
  参考文献：
  名称：

  Enzyme Fingerprints of Activity, and Stereo- and Enantioselectivity from Fluorogenic and Chromogenic Substrate Arrays

  摘要：

  A series of stereochemically and structurally diverse fluorogenic and chromogenic substrates for hydrolytic enzymes has been synthesized and used to characterize enzyme activity profiles of esterases, lipases, proteases, peptidases, phosphatases, and epoxide hydrolases. The substrates used are particularly resilient to nonspecific reactions due to their mechanism of activation. The activities recorded with the individual substrates are therefore remarkably reproducible, and enable us to use the overall pattern of activity as a specific fingerprint for the enzyme sample. Fingerprints of activity, and enantio- and stereoselectivity are displayed as arrays of color-scale squares that are easily analyzed visually. Such fingerprints might be useful for quality control, enzyme discovery, and possibly for addressing the issue of functional convergence in enzymes.

  DOI：

  10.1002/1521-3765(20020715)8:14<3211::aid-chem3211>3.0.co;2-g
• 作为产物：
  描述：

  4-nitrophenol sodium salt 在 四氧化锇 、 N-甲基吗啉氧化物 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 、 叔丁醇 为溶剂， 反应 34.0h， 生成 4-(4-硝基苯氧基)丁烷-1,2-二醇
  参考文献：
  名称：

  Enzyme Fingerprints of Activity, and Stereo- and Enantioselectivity from Fluorogenic and Chromogenic Substrate Arrays

  摘要：

  A series of stereochemically and structurally diverse fluorogenic and chromogenic substrates for hydrolytic enzymes has been synthesized and used to characterize enzyme activity profiles of esterases, lipases, proteases, peptidases, phosphatases, and epoxide hydrolases. The substrates used are particularly resilient to nonspecific reactions due to their mechanism of activation. The activities recorded with the individual substrates are therefore remarkably reproducible, and enable us to use the overall pattern of activity as a specific fingerprint for the enzyme sample. Fingerprints of activity, and enantio- and stereoselectivity are displayed as arrays of color-scale squares that are easily analyzed visually. Such fingerprints might be useful for quality control, enzyme discovery, and possibly for addressing the issue of functional convergence in enzymes.

  DOI：

  10.1002/1521-3765(20020715)8:14<3211::aid-chem3211>3.0.co;2-g

文献信息

• Novel assay reagents
  申请人：Syntex (U.S.A.) Inc.

  公开号：US04123614A1

  公开（公告）日：1978-10-31

  The present invention relates to novel assay reagents, their composition, methods of preparation, and use in the detection and measurement of various biological systems and/or components, e.g. enzymes, antibodies, antigens, and periodate concentration. This invention in its basic form utilizes a class of compounds having, inter alia., a backbone chain, an indicator group, and vicinal oxidizable groups.

  这项发明涉及新型测定试剂，其组成、制备方法，以及在检测和测量各种生物系统和/或组分（如酶、抗体、抗原和过碘酸盐浓度）中的应用。该发明在其基本形式中利用一类化合物，其中包括骨架链、指示基团和邻位可氧化基团。
• Enzyme Activity Fingerprinting with Substrate Cocktails
  作者：Jean-Philippe Goddard、Jean-Louis Reymond

  DOI：10.1021/ja0478330

  日期：2004.9.1

  In the postgenomic era, emphasis is shifting from protein identification to protein functional analysis. Enzyme function can be characterized by measuring activity across series of substrates, which generates an activity profile or fingerprint. Activity fingerprinting is particularly useful to differentiate closely related enzymes. Previously reported fingerprinting methods use series of parallel measurements, which are complex and difficult to reproduce. Here we report a new method for fingerprinting enzyme activities based on using mixtures of substrates, or substrate cocktails, in a single reaction that is then analyzed by HPLC. The fingerprints produced are highly reproducible and allow functional differentiation and classification of closely related enzymes, as demonstrated for a series of lipases and esterases. The method is practical, general, and flexible in terms of reaction conditions and can be adapted to any reaction type.
• Universal chromogenic substrates for lipases and esterases
  作者：Johann Grognux、Denis Wahler、Erich Nyfeler、Jean-Louis Reymond

  DOI：10.1016/j.tetasy.2004.07.059

  日期：2004.9

  Chromogenic mono- and diacyl-glycerol analogues were prepared and tested as substrates against lipases and esterases in a microtiter plate setup. Thirty-three enzyme samples were analyzed for activity at 100, 10, and 1 mugmL(-1). The reaction rates observed were visualized by RGB-color coding of activities, and analyzed by cluster analysis. The C8-, C10-, and C12-monoesters of the nitrophenol-derived diol 13 reacted very strongly across all enzyme samples tested, and appear as universal substrates for these enzymes. Such universal chromogenic probes may be used to detect even dilute lipases and esterases in crude cultures. (C) 2004 Elsevier Ltd. All rights reserved.
• METHOD AND TEST-KIT FOR THE DETECTION AND QUANTIFICATION OF ORGANISMS
  申请人：Goldschmidt GmbH

  公开号：EP1727909A1

  公开（公告）日：2006-12-06
• Method and Test-Kit for the Detection and Quantification of Organisms
  申请人：Allef Petra

  公开号：US20070264680A1

  公开（公告）日：2007-11-15

  The present invention provides methods and test-kits for rapidly detecting and/or quantifying a group of organism, cultivable or not cultivable, sharing the same enzymatic activity. In particular, the methods and kits can be used for example in the field of cosmetics, where the activities of (microbial) enzymes, which are responsible for malodor or dandruff, are detected as an indicator for the presence of particular groups of microorganisms. Furthermore, the effect on substances acting on the causative microbes can be determined rapidly, easily and at low cost.