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| Other Sizes |
| Targets |
Pyrazole-3-carboxylic acid derivatives have been evaluated as partial agonists for the nicotinic acid receptor. The compound also inhibits [³H]-nicotinic acid binding. Derivatives of this compound have been evaluated for inhibitory activity toward human carbonic anhydrase (hCA) isoforms I, II, IX, and XII. The compound itself is a potent antagonist of the human histamine H2 receptor.
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| ln Vitro |
In vitro, pyrazole-3-carboxylic acid exhibits anti-inflammatory, ulcerogenic liability, and antiproliferative activities. It has been shown to inhibit the growth of carcinoma cell lines in vitro. The compound shows significant inhibitory activity with IC₅₀ values of 44 µM in some assays. It is used as an alternative anchoring group in phthalocyanine dyes and as a building block for derivatives with various biological activities.
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| ln Vivo |
In vivo data for pyrazole-3-carboxylic acid as a therapeutic agent are limited. Derivatives of this compound have been evaluated for their biological activities, but specific in vivo efficacy and pharmacokinetic data for the parent compound are not well-documented. The compound's in vivo relevance is primarily indirect, through the biological activities of the final pharmaceutical compounds derived from its pyrazole scaffold.
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| Enzyme Assay |
For in vitro enzyme inhibition assays, pyrazole-3-carboxylic acid derivatives are evaluated for carbonic anhydrase (hCA) inhibitory activity. Standard protocols involve a stopped-flow CO₂ hydrase assay. The compound is incubated with the enzyme and the reaction is monitored spectrophotometrically. IC₅₀ values are calculated from dose-response curves. For histamine H2 receptor binding assays, radioligand displacement studies are performed using membrane preparations from H2 receptor-expressing cells.
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| Cell Assay |
For in vitro cell-based experiments, pyrazole-3-carboxylic acid is evaluated for antiproliferative activity against carcinoma cell lines. Cells are seeded in 96-well plates and treated with the compound at various concentrations (typically 0.1-100 µM) for 24-72 hours. Cell viability is assessed using MTT or resazurin-based assays. The compound's anti-inflammatory activity can be assessed by measuring cytokine production in activated immune cells.
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| Animal Protocol |
In vivo animal studies for pyrazole-3-carboxylic acid are limited. For potential anti-inflammatory or anticancer candidates derived from this scaffold, efficacy studies would typically be performed in mouse models of inflammation or cancer. Standard in vivo protocols involve administration to rodents via oral gavage or intraperitoneal injection, with measurement of inflammation markers, tumor volume, or survival as endpoints. Specific protocols are not available.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of pyrazole-3-carboxylic acid are not extensively characterized. The compound has a molecular weight of 112.09 g/mol, which is favorable for oral bioavailability. The carboxylic acid group may influence water solubility and ionization state at physiological pH. As a small, polar molecule, it is expected to have reasonable membrane permeability. Empirical pharmacokinetic data are not available.
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| Toxicity/Toxicokinetics |
Pyrazole-3-carboxylic acid is a research chemical and should be handled with appropriate laboratory safety precautions. As a carboxylic acid, it may cause skin and eye irritation. The compound is for research use only and not for human therapeutic or diagnostic applications. Specific LD₅₀ values, acute toxicity classifications, and chronic toxicity data are not available in the public literature. Standard safety practices include the use of personal protective equipment and working in a fume hood.
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| Additional Infomation |
1H-pyrazole-3-carboxylic acid has been reportedly found in Tedania anhelans, and relevant data are available for reference.
Pyrazole-3-carboxylic acid (1H-pyrazole-3-carboxylic acid, CAS 1621-91-6) is primarily a research-grade chemical intermediate, not an FDA-approved pharmaceutical drug. Its primary applications are as an alternative anchoring group in phthalocyanine dyes and as a building block for derivatives with anti-inflammatory, antiproliferative, and enzyme inhibitory activities. The compound shows activity against carbonic anhydrase and histamine H2 receptor. No clinical trials or approved indications exist. |
| Molecular Formula |
C4H4N2O2
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|---|---|
| Molecular Weight |
112.09
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| Exact Mass |
112.027
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| CAS # |
1621-91-6
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| PubChem CID |
574310
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| Appearance |
White to off-white solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
417.1±18.0 °C at 760 mmHg
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| Melting Point |
211ºC
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| Flash Point |
206.1±21.2 °C
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| Vapour Pressure |
0.0±1.0 mmHg at 25°C
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| Index of Refraction |
1.617
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| LogP |
-0.21
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
8
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| Complexity |
104
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N1C=CC(C(O)=O)=N1
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| InChi Key |
KOPFEFZSAMLEHK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C4H4N2O2/c7-4(8)3-1-2-5-6-3/h1-2H,(H,5,6)(H,7,8)
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| Chemical Name |
1H-pyrazole-5-carboxylic acid
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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 | 8.9214 mL | 44.6070 mL | 89.2140 mL | |
| 5 mM | 1.7843 mL | 8.9214 mL | 17.8428 mL | |
| 10 mM | 0.8921 mL | 4.4607 mL | 8.9214 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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