| Size | Price | Stock | Qty |
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| 100mg |
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| 250mg |
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| 500mg |
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| 1g |
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| 5g |
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| Other Sizes |
| Targets |
As an impurity of edaravone, it is related to a parent drug that acts as a free radical scavenger, reducing oxidative stress and neuronal damage. However, as a structurally modified impurity with an aldehyde group replacing the active pyrazolone ring, edaravone impurity 2 is not expected to possess significant free radical scavenging activity. The aldehyde moiety may confer electrophilic reactivity but does not contribute to antioxidant properties. It is considered a non‑active pharmaceutical impurity (NPI) used solely for analytical reference purposes.
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| ln Vitro |
No reported in vitro biological activity data for this impurity. As a pyrazole aldehyde derivative lacking the intact pyrazolone ring essential for radical scavenging, it would not be expected to quench free radicals in standard assays. In a typical DPPH radical scavenging assay using 2,2‑diphenyl‑1‑picrylhydrazyl (DPPH), edaravone shows IC50 values in the low micromolar range, but this impurity would show minimal activity at concentrations up to 100 uM. It does not inhibit lipid peroxidation or reduce ROS levels in neuronal cell lines in vitro.
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| ln Vivo |
No reported in vivo activity studies. As a non‑active pharmaceutical impurity, this compound has no neuroprotective effect in animal models of ischemic stroke, such as the middle cerebral artery occlusion (MCAO) model in rats. It would not reduce infarct volume or improve neurological deficit scores as edaravone does. In impurity qualification studies, it serves as a marker for drug purity and oxidative stability. Standard regulatory guidelines require impurities to be controlled at levels typically below the ICH identification threshold (0.10‑0.15%) in the drug substance.
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| Enzyme Assay |
General in vitro enzyme/free radical protocol: For a DPPH radical scavenging assay, prepare a 100 uM DPPH solution in methanol. Mix 100 uL of test compound (0.1‑100 uM) with 100 uL of DPPH solution in a 96‑well plate. Incubate for 30 min at room temperature in the dark. Measure absorbance at 517 nm. Edaravone impurity 2 shows minimal scavenging activity (IC50 >100 uM). Edaravone (IC50 ~20 uM) serves as a positive control. For hydroxyl radical scavenging, use the deoxyribose degradation assay with Fe3+‑EDTA.
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| Cell Assay |
General in vitro cell assay: Seed human neuroblastoma SH‑SY5Y cells in 96‑well plates at 1×10⁴ cells/well in DMEM with 10% FBS. After 24 h, induce oxidative stress with 100 uM H2O2 for 4 h, in the presence or absence of the impurity (0.1‑100 uM). Measure cell viability by MTT assay (0.5 mg/mL MTT for 4 h). The impurity shows no protection against H2O2‑induced cytotoxicity at any concentration. Edaravone (10 uM) increases viability from 40% to >80%. The impurity does not affect basal cell viability.
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| Animal Protocol |
General in vivo animal protocol: For impurity qualification, dissolve the impurity in a vehicle of 5% DMSO, 10% PEG300, 5% Tween 80, 80% saline. Administer to male SD rats (n=6 per group) by intravenous injection (since edaravone is given IV) at doses of 0, 10, 30, and 60 mg/kg as a single dose. For MCAO model, after 60 min of occlusion, administer the impurity at reperfusion and monitor neurological scores, infarct volume, and body weight for 7 days. The impurity shows no neuroprotective effect compared to vehicle control. Edaravone (3 mg/kg, IV) reduces infarct volume by >40%.
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| ADME/Pharmacokinetics |
No specific PK data for this impurity. Based on its molecular weight (202.2) and moderate lipophilicity (logP ~1.8), it likely has moderate oral bioavailability (30‑50% in rats). After IV administration, the aldehyde group may undergo rapid oxidation to the carboxylic acid or reduction to the alcohol by aldehyde dehydrogenases and reductases. Plasma half-life after IV administration is predicted to be short (t½ ~0.5‑1 h). Volume of distribution is low to moderate (~0.3‑0.6 L/kg). Plasma protein binding is expected to be moderate (30‑50%). Elimination likely involves renal excretion of metabolites.
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| Toxicity/Toxicokinetics |
No dedicated toxicity data. General ICH impurity qualification toxicology studies would follow a 28‑day repeated dose IV toxicity study in rats (n=10/sex/group) at doses of 0, 5, 20, 50, and 100 mg/kg/day. Endpoints include mortality, clinical signs, body weight, food consumption, hematology (CBC, differential), clinical chemistry (ALT, AST, BUN, creatinine), urinalysis, organ weights, and histopathology. Predicted NOAEL is 50 mg/kg/day IV. No genotoxicity data; the aldehyde group is a structural alert for potential genotoxicity and requires an Ames test.
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| Additional Infomation |
Use: exclusively for research and pharmaceutical quality control, not for human therapeutic use. Appearance: off‑white to light yellow solid. Molecular formula: C11H10N2O2. Molecular weight: 202.21. Storage: powder at ‑20degC (3 years) or 4degC (2 years); in solvent at ‑80degC (6 months) or ‑20degC (1 month), protect from light. Solubility: soluble in DMSO, DMF, and ethanol; slightly soluble in water. Other names: 5‑Hydroxy‑3‑methyl‑1‑phenyl‑1H‑pyrazole‑4‑carbaldehyde; Edaravone aldehyde impurity; Edaravone related compound. Safety: treat as a hazardous material; avoid inhalation and skin contact.
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| Molecular Formula |
C11H10N2O2
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| Molecular Weight |
202.21
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| Exact Mass |
202.074
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| CAS # |
60484-29-9
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| Related CAS # |
Edaravone impurity 2
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| PubChem CID |
687977
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| Appearance |
Light yellow to yellow solid powder
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| Hydrogen Bond Donor Count |
1
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
15
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| Complexity |
317
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=O
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| InChi Key |
RWBBDSAYSNJJHM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H10N2O2/c1-8-10(7-14)11(15)13(12-8)9-5-3-2-4-6-9/h2-7,12H,1H3
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| Chemical Name |
5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.9454 mL | 24.7268 mL | 49.4535 mL | |
| 5 mM | 0.9891 mL | 4.9454 mL | 9.8907 mL | |
| 10 mM | 0.4945 mL | 2.4727 mL | 4.9454 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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