(3-硝基苯基)硫酸氢盐 | 3233-64-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机硫酸及其衍生物
• 中文名称: (3-硝基苯基)硫酸氢盐
• 英文名称: Mono-(m-nitro-phenyl)-sulfat
• 英文别名: m-Nitrophenyl sulfate；(3-nitrophenyl) hydrogen sulfate
• CAS: 3233-64-5
• 化学式: C₆H₅NO₆S
• 分子量: 219.175
• InChiKey: YYRNJDMXUHLLJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  118
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (3-硝基苯基)硫酸氢盐 在 alkaline phosphatase 作用下， 以 various solvent(s) 为溶剂， 生成 3-硝基苯酚钠盐
  参考文献：
  名称：

  Do Electrostatic Interactions with Positively Charged Active Site Groups Tighten the Transition State for Enzymatic Phosphoryl Transfer?

  摘要：

  The effect of electrostatic interactions on the transition-state character for enzymatic phosphoryl transfer has been a subject of much debate. In this work, we investigate the transition state for alkaline phosphatase (AP) using linear free-energy relationships (LIFERs). We determined k(cat)/K-M for a series of aryl sulfate ester monoanions to obtain the Bronsted coefficient, beta(lg)., and compared the value to that obtained previously for a series of aryl phosphorothioate ester dianion substrates. Despite the difference in substrate charge, the observed Bronsted coefficients for AP-catalyzed aryl sulfate and aryl phosphorothioate hydrolysis (-0.76 +/- 0.14 and -0.77 +/- 0.10, respectively) are strikingly similar, with steric effects being responsible for the uncertainties in these values. Aryl sulfates and aryl phosphates react via similar loose transition states in solution. These observations suggest an apparent equivalency of the transition states for phosphorothioate and sulfate hydrolysis reactions at the AP active site and, thus, negligible effects of active site electrostatic interactions on charge distribution in the transition state.

  DOI：

  10.1021/ja0480421
• 作为产物：
  描述：

  间硝基苯酚 在 氯磺酸 、 N,N-二甲基苯胺 作用下， 生成 (3-硝基苯基)硫酸氢盐
  参考文献：
  名称：

  Hydrolysis of nitrophenyl and dinitrophenyl sulfate esters

  摘要：

  DOI：

  10.1021/jo01274a035

文献信息

• Synthesis of novel flavonoid derivatives as potential HIV- Integrase inhibitors
  作者：Nelly N. Mateeva、Rao N. Kode、Kinfe K. Redda

  DOI：10.1002/jhet.5570390620

  日期：2002.11

  Eighteen novel flavonoid derivatives - substituted chalcones and flavones were synthesized and characterized by using NMR, IR, UV/Vis spectroscopy and elemental analysis. The target compounds were achieved by using a sequence of simple and effective reactions starting from phloroglucinol. The initial hydroxyl groups were protected by methylation and in the final flavones the 5-OH group was selectively

  合成了十八种新的类黄酮衍生物-取代的查耳酮和黄酮，并通过NMR，IR，UV / Vis光谱和元素分析对其进行了表征。通过使用一系列从间苯三酚开始的简单有效的反应，可以实现目标化合物。最初的羟基被甲基化保护，而在最后的黄酮中，5-OH通过AlBr 3选择性地脱甲基。5-甲氧基黄酮显示强荧光，在除去甲基后将其猝灭。
• Neuberg; Wagner, Biochemische Zeitschrift, 1925, vol. 161, p. 501
  作者：Neuberg、Wagner

  DOI：——

  日期：——
• Bernstein; McGilvery, Journal of Biological Chemistry, 1952, vol. 198, p. 195,200
  作者：Bernstein、McGilvery

  DOI：——

  日期：——
• HIRUDIN ANALOGUE OR SALT THEREOF, PRODUCTION THEREOF, AND ANTICOAGULANT CONTAINING THE SAME AS ACTIVE INGREDIENT
  申请人：JAPAN ENERGY CORPORATION

  公开号：EP0531537B1

  公开（公告）日：1996-09-11
• JPS62295A
  申请人：——

  公开号：JPS62295A

  公开（公告）日：1987-01-06