peroxynitrate(1-) | 125239-87-4

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 非金属氧阴离子化合物
• 英文名称: peroxynitrate(1-)
• 英文别名: peroxynitrite(1-)；peroxynitrate；oxido nitrate
• CAS: 125239-87-4
• 化学式: NO₄
• 分子量: 78.0043
• InChiKey: UUZZMWZGAZGXSF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  78.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  peroxynitrate(1-) 以 水 为溶剂， 生成 氧气 、 Nitrite
  参考文献：
  名称：

  Comment on “Spontaneous Reactions and Reduction by Iodide of Peroxynitrite and Peroxynitrate:  Mechanistic Insight from Activation Parameters”

  摘要：

  DOI：

  10.1021/jp984563x
• 作为产物：
  描述：

  亚硝酸氧盐 、 二氧化碳 生成 peroxynitrate(1-)
  参考文献：
  名称：

  过氧亚硝酸盐与 CO2 反应生成过硝酸盐：碳酸盐自由基产生的证据

  摘要：

  使用停流技术研究了在碳酸氢盐和各种底物存在下过亚硝酸盐的分解。我们已经表明，在含有 HCO2-、H2O2、CH3OH 或 (CH3)2CHOH 的充气溶液中，过氧亚硝酸盐 (ONOOH/ONOO-) 与过量的 CO2 反应形成过氧硝酸盐 (O2NOOH/O2NOO-)。过硝酸盐的产量随着这些底物浓度的增加而增加，接近添加的过亚硝酸盐的 30-33%。竞争动力学研究产生的速率常数类似于直接为这些底物与碳酸根阴离子反应确定的速率常数。因此，我们建议通过以下步骤形成过氧硝酸盐：(i) 过氧亚硝酸盐与 CO2 快速反应形成 ONOOCO2-；(ii) 30-33% 的 ONOOCO2- 均裂解为 •NO2 和 CO3•-；(iii) CO3•-与各种底物反应，最终在充气溶液中产生超氧化物；(iv) 超氧化物与•NO2 快速反应形成O2NOO-。

  DOI：

  10.1021/ja9733043
• 作为试剂：
  描述：

  6-氨基-2-苯并噻唑甲腈 在 草酰氯 、 peroxynitrate(1-) 、 potassium carbonate 、 N,N-二甲基甲酰胺 作用下， 以 甲醇 、 aq. phosphate buffer 、 二氯甲烷 、 水 为溶剂， 反应 2.33h， 生成 aminoluciferin
  参考文献：
  名称：

  A Bioluminescent Probe for Imaging Endogenous Peroxynitrite in Living Cells and Mice

  摘要：

  亚硝酸过氧化物（ONOO-）是一种活性极高的氮物种（RNS），与癌症、神经退行性疾病和炎症等多种病理生理状况有关。由于高自荧光和有限的光穿透深度，活体系统中 ONOO- 的传感和成像仍然具有挑战性。在这项工作中，我们首次开发了一种基于荧光素酶-荧光素对和 ONOO 反应基团 α-酮酰胺的生物发光探针 BP-PN，用于活细胞和小鼠体内内源性 ONOO- 的高灵敏度检测和成像。由于BL无需外部激发，探针BP-PN表现出较高的信噪比和相对较低的自发荧光。此外，我们还利用炎症小鼠模型研究了探针 BP-PN 的应用，结果表明 BP-PN 对炎症小鼠内源性 ONOO- 的成像具有很高的灵敏度。这种新开发的生物发光探针将是一种潜在的有用工具，可用于在更广泛的生理和病理过程中对 ONOO- 进行体内成像。

  DOI：

  10.1021/acs.analchem.8b00198

文献信息

• Cage-Escape of Geminate Radical Pairs Can Produce Peroxynitrate from Peroxynitrite under a Wide Variety of Experimental Conditions¹
  作者：George R. Hodges、K. U. Ingold

  DOI：10.1021/ja991077u

  日期：1999.11.1

  formation of peroxynitrate may influence the rate of change in optical density at 302 nm, the wavelength normally employed to monitor peroxynitrite decay, leading to misleading kinetic traces. Tetranitromethane (TNM) was used as a colorimetric probe for superoxide to quantify the yield of free HO• (27−28%) and free -CO3• (32−33%). The yields of both of these free radicals are in excellent agreement with other

  过氧亚硝酸盐的自发和 CO2 催化分解分别产生 HO• 和 -CO3• 自由基，以及 •NO2。成对的 H2O•/• 和 - •/• 对在笼内发生竞争性坍塌，形成硝酸盐和扩散分离。游离的 HO• 和 - • 自由基与 2 和在 O2 存在下与合适的醇或甲酸盐反应生成超氧化物，超氧化物被 • 捕获以形成过氧硝酸盐。过氧硝酸盐的形成可能会影响 302 nm 光密度的变化率，该波长通常用于监测过氧亚硝酸盐的衰减，从而导致误导性的动力学轨迹。四硝基甲烷 (TNM) 用作超氧化物的比色探针，以量化游离 • (27-28%) 和游离 - • (32-33%) 的产率。这两种自由基的产率与其他最近的估计非常一致。通过过氧硝酸盐的形成及其与 TNM 的反应，在一些氧化醛催化的过氧亚硝酸盐分解中也检测到了超氧化物。超级...
• Spontaneous Reactions and Reduction by Iodide of Peroxynitrite and Peroxynitrate:  Mechanistic Insight from Activation Parameters
  作者：Sara Goldstein、Dan Meyerstein、Rudi van Eldik、Gidon Czapski

  DOI：10.1021/jp971506f

  日期：1997.9.1

  Thermal and pressure activation parameters are reported for the decomposition of peroxynitrate, isomerization of peroxynitrite, and their reduction by iodide in aqueous solutions, The spontaneous decomposition reactions are characterized by activation enthalpies of ca. 16 kcal/mol, activation entropies close to zero, and significantly positive activation volumes between 7 and 10 cm(3)/mol, These parameters suggest that the rearrangement of both peroxo species, leading to intermediates of increased partial molar volume, must include partial bond cleavage. The iodide-induced reduction reactions are characterized by significantly smaller activation enthalpies, negative activation entropies between -19 and -23 cal/(mol . K), and negative activation volumes between -6 and -11 cm(3)/mol. These parameters suggest that bond formation between the redox partners occurs before electron transfer and favors an inner-sphere mechanism. The results are discussed regarding mechanisms based on ambient kinetic data suggested in the literature.
• Reactivity of Peroxynitric Acid (O₂NOOH):  A Pulse Radiolysis Study
  作者：Sara Goldstein、Gidon Czapski

  DOI：10.1021/ic961186z

  日期：1997.9.1

  Peroxynitrate (O2NOOH/O2NOO-) is formed within less than 2 ms after pulse irradiation of aerated solutions containing relatively low concentrations of formate and nitrate. The pK(a), for peroxynitric acid was determined to be 5.9 +/- 0.1 both from the pH-dependent absorbance of the anion at 310 nm and from the dependence of the decay kinetics on pH. An absorption spectrum was measured for the anion giving epsilon(max)(290)=1500+/-100 M-1 cm(-1). This method of generation of peroxynitrate is very useful for studying the mechanism of the oxidation of various substrates by peroxynitrate. The oxidation by peroxynitrate can take place either directly or indirectly. In the direct oxidation pathway, the reaction is first order in peroxynitrate and first order in the substrate, whereas in the indirect oxidation pathway, the reaction is zero order in the substrate. In both cases, the observed rate constants are highly pH-dependent. The results show that the direct oxidation pathway takes place through O2NOOH. We suggest that the indirect oxidation takes place through reactive intermediates that are formed during the decomposition of peroxynitrate. In the presence of sufficient concentrations of the substrates, the oxidation yields approach 100% through the direct and indirect oxidation pathways.
• Mechanism of Decomposition of Peroxynitric Ion (O₂NOO^-):  Evidence for the Formation of O₂^•- and ^•NO₂ Radicals
  作者：Sara Goldstein、Gidon Czapski、Johan Lind、Gabor Merenyi

  DOI：10.1021/ic980051l

  日期：1998.8.1

  The rate constant of the self-decomposition of O2NOO- was determined to be 1.35 +/- 0.03 s(-1) at 25 degrees C. The decomposition rate constant of O2NOO- in the presence of C(NO2)(4), CuSO4, SOD, and Fe(CN)(6)(4-) was found to be 2.4 +/- 0.2 s(-1), independent of the concentration of these substrates. The oxidation yields of C(NO2)(3)(-) and ferricyanide were measured to be 47 +/- 5 and 83 +/- 9% of added peroxynitrate, respectively, where the latter decreased to 54 +/- 6% in the presence of SOD. We therefore suggest that ca. 50% of O2NOO- homolyses into O-2(.-) and . NO2 (k = 1.05 +/- 0.23 s(-1)). The equilibrium constant of the homolysis of O2NOO- into . NO2 and O-2(.-) and the reduction potential of the couple O2NOOH,H+/NO3- were calculated to be 2.3 x 10(-10) M and 1.83 V, respectively.