2,5-dinitrophenol anion | 46206-23-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,5-dinitrophenol anion
• 英文别名: 2,5-Dinitrophenolate ion；2,5-dinitrophenolate；2,5-Dinitrobenzen-1-olate
• CAS: 46206-23-9
• 化学式: C₆H₃N₂O₅
• mdl: MFCD00989755
• 分子量: 183.1
• InChiKey: UWEZBKLLMKVIPI-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  115
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2,5-dinitro-phenyl-acetate 在 水 作用下， 生成 2,5-dinitrophenol anion
  参考文献：
  名称：

  Tabushi, I.; Kuroda, Y.; Sakata, Y., Heterocycles, 1981, vol. 15, # 2, p. 815 - 818

  摘要：

  DOI：

文献信息

• Hydrogen bonding and proton transfer in hydrido-bis-phenolate complexes in acetone
  作者：Zenon Pawlak、Bogusław Nowak、Malcolm F. Fox

  DOI：10.1039/f19827802157

  日期：——

  with proton transfer have been determined in acetone at 298 K. Tetra-alkylammonium phenolates were titrated with a variety of phenols to given homocomplexes and heterocomplexes. Potentiometric data give the overall equilibria constants, K0, proton-transfer constants, KPT and formation constants, Kf. Two types of heterocomplexes were studied. When ArO– is a weaker base than Ar′O–, the complexation occurs

  的同共轭，（ARO）2 ħ - ，和heteroconjugation，Ar'O - ⋯HOAR，（其中Ar是芳族的）与质子转移已经在丙酮在298K四烷基酚确定与各种酚类到滴定给定同质复合体和异质复合体。电位数据提供了总体平衡常数K 0，质子转移常数K PT和形成常数K f。研究了两种类型的杂合物。当ArO –是弱于Ar'O –的碱时，络合发生而没有质子转移，这由低K 0所证实。反应的值。当ArO –是比Ar'O –更强的碱时，整体平衡常数K 0很大，因为氢键的平衡质子转移常数（K PT）和平衡形成常数（K f）都包括在其中。K 0 = K f K PT的测量。
• METHODS (AMACR)
  申请人：UNIVERSITY OF BATH

  公开号：US20170176436A1

  公开（公告）日：2017-06-22

  A method of measuring α-methylacyl-CoA racemase (AMACR) activity in a sample is described comprising the steps of: (i) providing a sample; (ii) contacting said sample with a substrate compound that undergoes elimination of hydrogen and a leaving group catalysed by said AMACR to produce a product compound having an additional carbon-carbon double bond; and (iii) measuring the amount of said leaving group and/or of said product compound and/or of unreacted substrate compound. Also provided are methods of diagnosis and medical imaging, in particular for use in diagnosing prostate cancer. Also provided are substrate compounds of Formula 1 for use in the methods described herein.

  描述了一种测量样本中α-甲基酰辅酶A羧化酶（AMACR）活性的方法，包括以下步骤：（i）提供样本；（ii）将所述样本与底物化合物接触，该化合物经过由所述AMACR催化的氢和一个离去基团的消除产生具有额外碳-碳双键的产物化合物；以及（iii）测量所述离去基团和/或所述产物化合物和/或未反应的底物化合物的量。还提供了诊断和医学成像的方法，特别用于诊断前列腺癌。还提供了用于上述方法的Formula 1的底物化合物。
• Reactions of phosphate and phosphorothiolate diesters with nucleophiles: comparison of transition state structures
  作者：Jing-Dong Ye、Christofer D. Barth、Potluri S. R. Anjaneyulu、Thomas Tuschl、Joseph A. Piccirilli

  DOI：10.1039/b707205h

  日期：——

  synthesized and their reactions with pyridine derivatives were compared to those for methyl aryl phosphate esters (OP). Results show that SP esters react with pyridine nucleophiles via a concerted S(N)2(P) mechanism. Bronsted analysis suggests that reactions of both SP and OP esters proceed via transition states with dissociative character. The overall similarity of the transition state structures supports the

  合成了一系列甲基芳基硫代磷酸酯（SP），并将它们与吡啶衍生物的反应与甲基芳基磷酸酯（OP）的反应进行了比较。结果表明，SP酯通过协同的S（N）2（P）机制与吡啶亲核试剂反应。布朗斯台德的分析表明，SP和OP酯的反应都是通过具有解离特性的过渡态进行的。过渡态结构的总体相似性支持使用硫代磷酸酯作为底物类似物来探测酶催化的磷酰基转移反应的机理。
• Structure and Mechanism of PhnP, a Phosphodiesterase of the Carbon-Phosphorus Lyase Pathway
  作者：Shu-Mei He、Matthew Wathier、Kateryna Podzelinska、Matthew Wong、Fern R. McSorley、Alemayehu Asfaw、Bjarne Hove-Jensen、Zongchao Jia、David L. Zechel

  DOI：10.1021/bi2005398

  日期：2011.10.11

  PhnP is a phosphodiesterase that plays an important role within the bacterial carbon-phosphorus lyase (CP-lyase) pathway by recycling a “dead-end” intermediate, 5-phospho-α-d-ribosyl 1,2-cyclic phosphate, that is formed during organophosphonate catabolism. As a member of the metallo-β-lactamase superfamily, PhnP is most homologous in sequence and structure to tRNase Z phosphodiesterases. X-ray structural

  PhnP是一种磷酸二酯酶，通过回收“末端”中间体5-磷酸-α- d在细菌碳-磷裂解酶（CP-裂解酶）途径中发挥重要作用。-核糖基1,2-环磷酸酯，在有机膦酸酯分解代谢过程中形成。作为金属-β-内酰胺酶超家族的成员，PnP在序列和结构上与tRNase Z磷酸二酯酶最同源。用PhnP与原钒酸酯络合至1.5Å分辨率的X射线结构分析表明，该抑制剂在四面体几何结构中被两个催化锰离子和推定的一般酸残基H200结合。在这种结构的指导下，我们通过定点诱变，动力学分析和ICP-MS探索了第一和第二球活性位点残基对催化和金属离子结合的贡献。H200变为丙氨酸导致k cat / K M降低6–33倍带有取代的甲基苯基磷酸二酯，离去基团p K a的值在4至8.4之间。以双（对硝基苯基）磷酸酯为底物，k cat / K M降低了10倍，这主要是由于K M大大增加的结果。此外，镍离子活化的H200A PhnP对k cat
• PHOTOBASE GENERATOR
  申请人：Shiraishi Atsushi

  公开号：US20110028585A1

  公开（公告）日：2011-02-03

  The object of the present invention is to provide a photobase generator capable of efficiently generating amines (tertiary amines and amidine) high in catalytic activity by sensing light with a wavelength of from 350 to 500 nm (especially, from 400 to 500 nm). The present invention is a photobase generator characterized in being represented by general formula (1) or (2). Y + is a quaternary ammonio group of general formula (3) to (5), and X − is a counter anion selected from among a borate anion, a phenolate anion, and a carboxylate anion.

  本发明的目的是提供一种光敏基发生器，能够通过感应350至500纳米（特别是400至500纳米）波长的光，高效地生成催化活性高的胺（三级胺和酰胺）。本发明是一种光敏基发生器，其特征在于由通式（1）或（2）所表示。其中，Y+为通式（3）至（5）的四级铵基团，X-为从硼酸根离子、酚酸根离子和羧酸根离子中选择的对应阴离子。