| Size | Price | Stock | Qty |
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| 100mg |
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| Other Sizes |
| Targets |
POBN does not have a specific biological target but is a chemical probe used to trap free radicals. The nitrone group reacts with short-lived free radicals to form more stable nitroxide radical adducts that can be detected by EPR spectroscopy. POBN is used to detect a variety of free radicals including hydroxyl radicals, superoxide, carbon-centered radicals, and lipid radicals. Its hydrophilic nature and cell permeability make it suitable for both extracellular and intracellular radical detection. The compound's ability to form stable adducts with reactive oxygen species makes it a valuable tool for oxidative stress research.
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| ln Vitro |
Only a little residual signal of the POBN radical adduct is seen when POBN (20 mM), sodium formate (100 mM), and bile are combined in the collecting tube with 2,2′-dipyridyl (DP) (5 mM) and bathocuproinedisulfonic acid disodium salt hydrate (BC) (5 mM)[1].
In vitro, POBN is used as a spin trap to detect free radical adducts in cell-free systems and cell cultures. When POBN (20 mM) and sodium formate (100 mM) are used, the compound traps free radicals generated in various experimental systems. POBN has been used to measure ethanol oxidation to 1-hydroxyethyl radical (HER), which can bind to proteins. It has also been used in studies of DNA methylation, iron-mediated polyunsaturated fatty acid peroxidation, and free-radical formation by Alzheimer β-amyloid peptide. The compound is effective at trapping radicals in aqueous environments. |
| ln Vivo |
Rats' bile contained radical adducts identified by electron spin resonance (ESR) spectra one hour following acute intraperitoneal (i.p.) administration of sodium formate (2 g/kg) and POBN (1.5 g/kg)[1].
In vivo, POBN has been used to detect free radical formation in animal models of oxidative stress, inflammation, and neurodegenerative diseases. The compound's cell permeability and hydrophilic nature allow it to distribute to tissues and trap radicals in vivo. POBN has been used in studies of ethanol metabolism, ischemia-reperfusion injury, neuroinflammation, and other conditions involving oxidative stress. EPR detection of POBN radical adducts provides a direct measure of free radical production in vivo. |
| Enzyme Assay |
Non-cell-based assays for POBN involve the detection of free radical adducts by electron paramagnetic resonance (EPR) spectroscopy. POBN is added to a reaction system that generates free radicals (e.g., Fenton reaction, UV photolysis, or enzymatic systems). The resulting POBN-radical adducts produce characteristic EPR spectra (typically a triplet of doublets) that can be used to identify the trapped radical species. The concentration of radical adducts is quantified by measuring the EPR signal intensity. The compound's purity and paramagnetic impurity levels are characterized by EPR.
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| Cell Assay |
Cellular assays for POBN are performed using various cell types including neurons, immune cells, or cancer cells. Cells are treated with POBN and exposed to oxidative stress-inducing agents (e.g., H₂O₂, LPS, or amyloid-β). After incubation, cells are collected, and POBN radical adducts are extracted and analyzed by EPR. The compound's ability to trap intracellular radicals is assessed. Cell viability is measured to determine cytotoxicity. POBN is used to study the role of free radicals in cell signaling, apoptosis, and disease pathogenesis.
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| Animal Protocol |
Animal/Disease Models: Fischer male rats (300- 400 g)[1]
Doses: 1.5 g/kg (pharmacokinetic/PK Analysis) Route of Administration: Injected simultaneously ip Experimental Results: A strong six-line ESR signal of the POBN radical adduct was detected in the bile of rats after acute sodium formate poisoning. In vivo experiments with POBN are conducted in animal models of oxidative stress, inflammation, or neurodegenerative diseases. Animals are administered POBN via intraperitoneal or intravenous injection. At specified time points, tissues (brain, liver, blood) are collected, and POBN radical adducts are extracted and analyzed by EPR. The compound's ability to trap radicals in specific tissues is evaluated. Pharmacodynamic studies correlate radical production with disease severity or treatment effects. POBN has been used in rodent models of ethanol-induced oxidative stress, ischemia-reperfusion, and Alzheimer's disease. |
| ADME/Pharmacokinetics |
Pharmacokinetic properties of POBN have been characterized in preclinical studies. As a small hydrophilic molecule (molecular weight 194.23), POBN is rapidly distributed to tissues following administration. The compound is cell-permeable and can cross the blood-brain barrier to some extent. Its half-life, clearance, and tissue distribution have been studied. POBN is metabolized and excreted primarily via urine. The compound's stability in biological samples and its ability to form stable radical adducts make it suitable for in vivo EPR studies. However, detailed PK data are limited.
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| Toxicity/Toxicokinetics |
The toxicity of POBN has been evaluated in the context of its use as a spin trap. POBN is generally considered to be non-toxic at the concentrations used for EPR studies. The compound has low paramagnetic impurities and does not require further purification. At high doses, nitrone spin traps can have pharmacological effects including antioxidant and neuroprotective properties. However, comprehensive toxicological studies including genotoxicity and organ toxicity are limited. The compound is for research use only and is not intended for human consumption.
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| References |
[1]. A E Dikalova, et al. An in vivo ESR spin-trapping study: free radical generation in rats from formate intoxication--role of the Fenton reaction. Proc Natl Acad Sci U S A. 2001 Nov 20;98(24):13549-53.
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| Additional Infomation |
The structure given in the first document
POBN (CAS# 66893-81-0) is a cell-permeable, hydrophilic nitrone spin trap with the molecular formula C₁₀H₁₄N₂O₂ and a molecular weight of 194.23. It is also known as 4-POBN and α-(4-Pyridyl N-oxide)-N-tert-butylnitrone. POBN is a water-soluble analog of PBN used to detect free radical adducts in vitro and in vivo. It forms stable adducts with reactive oxygen species and other free radicals for detection by electron paramagnetic resonance (EPR) spectroscopy. The compound has been used in studies of ethanol oxidation, DNA methylation, lipid peroxidation, and neurodegenerative diseases. It is available for research use only and is not approved as a therapeutic agent. |
| Molecular Formula |
C10H14N2O2
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|---|---|
| Molecular Weight |
194.23
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| Exact Mass |
194.105
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| CAS # |
66893-81-0
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| PubChem CID |
135532295
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| Appearance |
White to off-white solid powder
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| Density |
1.056g/cm3
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| Boiling Point |
409.104ºC at 760 mmHg
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| Melting Point |
183-185ºC(lit.)
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| Flash Point |
201.219ºC
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| Index of Refraction |
1.517
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| LogP |
2.366
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
14
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| Complexity |
213
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[O-]/[N+](=C(/[H])\C1C([H])=C([H])[N+](=C([H])C=1[H])[O-])/C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
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| InChi Key |
RNRMWTCECDHNQU-WQLSENKSSA-N
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| InChi Code |
InChI=1S/C10H14N2O2/c1-10(2,3)12(14)8-9-4-6-11(13)7-5-9/h4-8H,1-3H3/b12-8-
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| Chemical Name |
N-tert-butyl-1-(1-oxidopyridin-1-ium-4-yl)methanimine oxide
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
H2O: 100 mg/mL (514.85 mM)
DMSO: 50 mg/mL (257.43 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.87 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (12.87 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (12.87 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 100 mg/mL (514.85 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.1485 mL | 25.7427 mL | 51.4854 mL | |
| 5 mM | 1.0297 mL | 5.1485 mL | 10.2971 mL | |
| 10 mM | 0.5149 mL | 2.5743 mL | 5.1485 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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