| Size | Price | Stock | Qty |
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| 50g |
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| 100g |
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| Other Sizes |
| Targets |
1-Methyl-1H-pyrazole-4-carboxaldehyde does not have a specific primary biological target, as it functions primarily as a synthetic intermediate. However, the compound plays a significant role in biochemical reactions and interacts with various enzymes, proteins, and other biomolecules. Its derivatives, such as 1-methyl-1H-pyrazole-4-carboxylic acid derivatives, are candidates for drug development. The compound's aldehyde group allows it to form Schiff bases and other derivatives that may interact with various biological targets. In medicinal chemistry, it serves as a versatile building block for constructing biologically active molecules, including enzyme inhibitors and receptor modulators.
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| ln Vitro |
In vitro, 1-methyl-1H-pyrazole-4-carboxaldehyde is used as a sulfonylation reagent for organic synthesis and drug discovery. It is used in the synthesis of 1-methyl-1H-pyrazole-4-carboxylic acid derivatives, making them candidates for drug development. The compound plays a significant role in biochemical reactions and interacts with various enzymes, proteins, and other biomolecules. In medicinal chemistry, it serves as a versatile building block for constructing biologically active molecules. Its aldehyde group allows for reductive amination, condensation, and other transformations, enabling the synthesis of diverse derivatives. In organic synthesis, it is used as a building block for creating complex molecules efficiently.
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| ln Vivo |
In vivo activity is mediated through the derivatives of 1-methyl-1H-pyrazole-4-carboxaldehyde rather than the parent compound itself. For example, 1-methyl-1H-pyrazole-4-carboxylic acid derivatives synthesized from this compound are candidates for drug development and may be evaluated in animal models. However, specific in vivo studies on the parent compound are not documented, as it is a synthetic intermediate rather than a pharmacological agent.
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| Enzyme Assay |
Cell-free assays involving 1-methyl-1H-pyrazole-4-carboxaldehyde are focused on its use as a chemical reagent. Standard protocols for aldehyde derivatization involve reacting the compound with amines to form imines or with other nucleophiles in condensation reactions. The reaction progress is monitored by TLC or HPLC. For sulfonylation reactions, the compound is used as a sulfonylation reagent in organic synthesis. The compound's reactivity can be studied using various analytical techniques, including NMR spectroscopy and mass spectrometry. Its use in the synthesis of carboxylic acid derivatives involves standard organic synthesis procedures.
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| Cell Assay |
Cellular assays are not commonly performed with 1-methyl-1H-pyrazole-4-carboxaldehyde itself, as it is a chemical intermediate rather than a bioactive compound. However, its derivatives may be evaluated in cell-based systems for various biological activities. For example, 1-methyl-1H-pyrazole-4-carboxylic acid derivatives may be tested in cancer cell lines or other relevant cell models. The compound itself is not used as a test article in cell-based experiments due to its primary role as a synthetic building block.
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| Animal Protocol |
Animal studies are not typically conducted with the parent compound 1-methyl-1H-pyrazole-4-carboxaldehyde. Its derivatives, such as 1-methyl-1H-pyrazole-4-carboxylic acid derivatives, may be evaluated in animal models for therapeutic efficacy. However, specific in vivo studies on the parent compound are not documented. The parent compound is not administered to animals, as it is a synthetic intermediate.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 1-methyl-1H-pyrazole-4-carboxaldehyde are not available. As a small polar molecule with a molecular weight of 110.11 g/mol, it is expected to have moderate bioavailability if administered, but it is not intended for therapeutic use. Comprehensive pharmacokinetic studies have not been performed, as the compound is not intended for systemic administration. For research purposes, the compound is typically handled as a neat chemical and not administered to living organisms for pharmacokinetic profiling.
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| Toxicity/Toxicokinetics |
Toxicological data for 1-methyl-1H-pyrazole-4-carboxaldehyde are limited. Standard safety precautions for handling aldehydes and heterocycles apply, including the use of personal protective equipment such as gloves and safety goggles. The compound should be handled in a well-ventilated area, and contact with skin and eyes should be avoided. In case of exposure, affected areas should be rinsed thoroughly with water. The compound is not classified as a carcinogen or mutagen based on available data, but comprehensive toxicological evaluation has not been performed. As with all research chemicals, it should be handled with care and used only in accordance with safety guidelines.
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| Additional Infomation |
1-Methyl-1H-pyrazole-4-carboxaldehyde is a research chemical, not an approved drug. It has no clinical trial or marketing approval status for therapeutic use. The compound is a versatile biochemical reagent that serves as a building block in organic synthesis and biochemical pathways. It plays a significant role in biochemical reactions and interacts with various enzymes, proteins, and other biomolecules. The compound is used in the synthesis of 1-methyl-1H-pyrazole-4-carboxylic acid derivatives, making them candidates for drug development. It is supplied with a purity of ≥99.96% and should be stored in a cool, dry place. It is a high-purity biochemical reagent suitable for use as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
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| Molecular Formula |
C5H6N2O
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|---|---|
| Molecular Weight |
110.11
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| Exact Mass |
110.048
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| CAS # |
25016-11-9
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| PubChem CID |
573117
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| Appearance |
White to light yellow <29°C solid powder,>34°C liquid
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
218.9±13.0 °C at 760 mmHg
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| Melting Point |
29-34ºC
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| Flash Point |
86.2±19.8 °C
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| Vapour Pressure |
0.1±0.4 mmHg at 25°C
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| Index of Refraction |
1.552
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| LogP |
0.01
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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 |
1
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| Heavy Atom Count |
8
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| Complexity |
94.4
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C([H])C1C([H])=NN(C([H])([H])[H])C=1[H]
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| InChi Key |
MYFZXSOYJVWTBL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H6N2O/c1-7-3-5(4-8)2-6-7/h2-4H,1H3
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| Chemical Name |
1-methylpyrazole-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 | 9.0818 mL | 45.4091 mL | 90.8183 mL | |
| 5 mM | 1.8164 mL | 9.0818 mL | 18.1637 mL | |
| 10 mM | 0.9082 mL | 4.5409 mL | 9.0818 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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