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| Other Sizes |
| Targets |
The primary targets of 4-Carboxypyrazole include ALKBH1, as it is involved in the synthesis of ALKBH1 inhibitors. As an endogenous metabolite, it may interact with various physiological pathways. The compound serves as an intermediate in the synthesis of bioactive compounds with various pharmacological activities. These targets make it relevant for drug discovery and development research.
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| ln Vitro |
In vitro, 4-Carboxypyrazole is used as an intermediate in the synthesis of ALKBH1 inhibitors. It serves as a crucial building block for numerous bioactive compounds. The compound's derivatives exhibit a wide range of pharmacological activities. As an endogenous metabolite, it is studied in vitro to understand its role in metabolism and its potential as a drug intermediate. These in vitro activities support its use in drug discovery and medicinal chemistry.
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| ln Vivo |
In vivo, 4-Carboxypyrazole is a metabolite of Fomepizole, a drug used as an antidote for methanol and ethylene glycol poisoning. As an endogenous metabolite, it is naturally present in biological systems. Its role in the synthesis of ALKBH1 inhibitors suggests potential therapeutic applications. However, detailed in vivo efficacy data are limited. Further studies are needed to evaluate its pharmacological properties and therapeutic potential.
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| Enzyme Assay |
In vitro enzyme assays for 4-Carboxypyrazole involve measuring its role as an intermediate in ALKBH1 inhibitor synthesis. The compound is used as a starting material in organic synthesis reactions. Enzyme inhibition assays may be conducted with synthesized ALKBH1 inhibitors. The compound's metabolic formation from Fomepizole can be studied using liver microsomes or recombinant enzymes. All assays include appropriate controls and reference compounds.
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| Cell Assay |
In vitro cell-based assays for 4-Carboxypyrazole are not typically conducted with the compound itself. Instead, its derivatives or ALKBH1 inhibitors synthesized from it are tested in cell-based assays. Cells are treated with synthesized compounds at concentrations ranging from 0.1-1000 μM for 24-72 hours. Cell viability is assessed using MTT assays. Target-specific endpoints are measured. Experiments include vehicle controls and positive controls.
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| Animal Protocol |
In vivo animal studies with 4-Carboxypyrazole are not typically conducted, as it is a metabolite and synthetic intermediate. Pharmacokinetic studies of Fomepizole measure 4-Carboxypyrazole as a metabolite. Animal studies may be conducted with ALKBH1 inhibitors synthesized from 4-Carboxypyrazole. Each group consists of 6-10 animals with appropriate controls. Data are analyzed using standard statistical methods.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 4-Carboxypyrazole include its formation as a metabolite of Fomepizole. As a small, polar molecule (MW 112.09, C4H4N2O2), it is expected to have good water solubility and renal excretion. The compound is an endogenous metabolite and likely undergoes further metabolism through conjugation pathways. Its pharmacokinetics are influenced by the parent drug's metabolism and renal function.
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| Toxicity/Toxicokinetics |
Toxicological data for 4-Carboxypyrazole indicate that it is generally well-tolerated as a metabolite of Fomepizole. No significant toxicity has been reported. As an endogenous metabolite, it is expected to have a favorable safety profile. However, comprehensive toxicological studies of the compound itself are limited. As with all research chemicals, appropriate safety precautions should be taken during handling.
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| Additional Infomation |
4-Carboxypyrazole is a type of pyrazole compound.
4-Carboxypyrazole (1H-Pyrazole-4-carboxylic acid) is an endogenous metabolite and a metabolite of Fomepizole. It is involved in the synthesis of ALKBH1 inhibitors and serves as a crucial intermediate in the synthesis of numerous bioactive compounds with various pharmacological activities. The compound is used in drug discovery and medicinal chemistry research. Not approved for clinical therapeutic use; intended for research purposes. |
| Molecular Formula |
C₄H₄N₂O₂
|
|---|---|
| Molecular Weight |
112.09
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| Exact Mass |
112.027
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| CAS # |
37718-11-9
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| PubChem CID |
3015937
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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 |
282 °C (dec.)(lit.)
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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
|
| Index of Refraction |
1.617
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| LogP |
0.41
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| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
1
|
| Heavy Atom Count |
8
|
| Complexity |
104
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
IMBBXSASDSZJSX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C4H4N2O2/c7-4(8)3-1-5-6-2-3/h1-2H,(H,5,6)(H,7,8)
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| Chemical Name |
1H-pyrazole-4-carboxylic acid
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| Synonyms |
4Carboxypyrazole; 4 Carboxypyrazole
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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) |
DMSO : ~100 mg/mL (~892.14 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (22.30 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 (22.30 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 (22.30 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| 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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