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3-Phenylpyrazole is a compound of significant interest in medicinal chemistry due to its diverse biological activities, including antioxidant, anti-inflammatory, antimicrobial, and neuroprotective properties. It has been shown to bind to human serum albumin as well as nitrogen atoms in the ryanodine receptor. It exhibits potential as an anti-inflammatory, antimicrobial, and anticancer agent.
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| ln Vitro |
In vitro assays have been used for light emission and gamma-aminobutyric acid assay, showing that it can be used in insect resistance. The compound exhibits potential as an anti-inflammatory, antimicrobial, and anticancer agent. Its biological activity focuses on antioxidant, anti-inflammatory, antimicrobial, and neuroprotective properties.
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| ln Vivo |
No specific in vivo pharmacological activity data have been documented for 3-Phenylpyrazole as a therapeutic agent. The compound is used as a fragment molecule and biochemical reagent. It is not administered to animals for pharmacological evaluation. Its applications are limited to in vitro biochemical research and drug discovery.
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| Enzyme Assay |
For non-cellular assays, 3-Phenylpyrazole is characterized by standard analytical techniques including HPLC, NMR, and mass spectrometry to confirm identity and purity. The compound can be evaluated in receptor binding assays and enzyme inhibition studies. Typical protocols involve dissolving the compound in appropriate solvents and analyzing by chromatographic methods. Purity: ≥97%. Storage: room temperature in a cool and dark place.
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| Cell Assay |
For in vitro cell-based studies, 3-Phenylpyrazole is not typically used as a direct test compound. It is a fragment molecule and building block for synthesizing biologically active molecules that are subsequently tested in cell-based assays. If handled in a biological laboratory context, standard safety precautions should be taken.
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| Animal Protocol |
For in vivo animal studies, 3-Phenylpyrazole is not administered directly as a test compound. It is used in chemical synthesis to produce pharmaceutical candidates that are subsequently evaluated in animal models. The compound can be formulated using standard injection vehicles if required for specific research protocols.
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| ADME/Pharmacokinetics |
3-Phenylpyrazole has a molecular weight of 144.17 and molecular formula C₉H₈N₂. Purity: ≥97%. Storage: keep in a cool, dry place protected from light and moisture. The compound is a solid at room temperature. Solubility: soluble in common organic solvents. The compound is stable under recommended storage conditions.
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| Toxicity/Toxicokinetics |
3-Phenylpyrazole is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. Appropriate personal protective equipment including gloves and safety glasses should be worn. Specific LD₅₀ values and detailed toxicological profiles have not been extensively reported.
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| Additional Infomation |
3-Phenylpyrazole (CAS 2458-26-6) is also known as 3-phenyl-1H-pyrazole. It is a fragment molecule that serves as an important scaffold for drug discovery. It exhibits potential as an anti-inflammatory, antimicrobial, and anticancer agent. No clinical trials or therapeutic approvals exist.
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| Molecular Formula |
C9H8N2
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| Molecular Weight |
144.17
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| Exact Mass |
144.068
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| CAS # |
2458-26-6
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| PubChem CID |
17155
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
339.1±11.0 °C at 760 mmHg
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| Melting Point |
75-77 °C
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| Flash Point |
163.8±12.2 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.603
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| LogP |
2.22
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
11
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| Complexity |
119
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N1([H])C(=C([H])C([H])=N1)C1C([H])=C([H])C([H])=C([H])C=1[H]
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| InChi Key |
OEDUIFSDODUDRK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H,(H,10,11)
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| Chemical Name |
5-phenyl-1H-pyrazole
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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) |
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 | 6.9363 mL | 34.6813 mL | 69.3626 mL | |
| 5 mM | 1.3873 mL | 6.9363 mL | 13.8725 mL | |
| 10 mM | 0.6936 mL | 3.4681 mL | 6.9363 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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