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1H-Imidazole-4-carboxylic acid is a synthetic intermediate and biochemical reagent. The imidazole scaffold is a privileged structure in medicinal chemistry, found in many drugs and bioactive compounds. The compound's carboxylate group allows for various chemical transformations, including esterification and amidation. It has been widely utilized to generate coordination polymers. The compound is under investigation in clinical trial NCT00583895 for the treatment of moderate atopic dermatitis, suggesting potential therapeutic applications as a topical agent.
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| ln Vitro |
In vitro, 1H-imidazole-4-carboxylic acid is used as a biochemical reagent and organic compound for biomedical research. It has been widely utilized to generate different types of coordination polymers. Cellular assays are typically performed on the final compounds synthesized from this building block or on the compound itself for its potential therapeutic applications. The compound's imidazole scaffold allows for various chemical transformations, making it valuable for drug discovery, coordination chemistry, and chemical synthesis.
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| ln Vivo |
In vivo, 1H-imidazole-4-carboxylic acid is under investigation in clinical trial NCT00583895 for the treatment of moderate atopic dermatitis. This suggests that the compound or its formulations have potential therapeutic applications as a topical treatment for skin conditions. The compound is classified for research use and is being evaluated in clinical trials for specific indications. Further clinical data is needed to establish its efficacy and safety profile.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for 1H-imidazole-4-carboxylic acid may evaluate its activity against various targets. A standard protocol involves incubating the compound with purified enzymes or receptors in appropriate buffer systems. The compound is dissolved in DMSO or water and diluted to working concentrations. Enzyme activity is measured by quantifying substrate conversion using colorimetric, fluorometric, or chromatographic methods. Binding affinity is assessed using surface plasmon resonance or isothermal titration calorimetry. IC₅₀ or Kd values are calculated from dose-response curves. The compound's imidazole scaffold allows for interaction with various biological targets.
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| Cell Assay |
Cellular assays for 1H-imidazole-4-carboxylic acid may evaluate its potential therapeutic applications. A standard protocol for atopic dermatitis research involves culturing keratinocytes or other skin cells in growth medium at 37°C with 5% CO₂. Cells are treated with varying concentrations of the compound for 24-72 hours. Inflammatory cytokine production (e.g., TNF-α, IL-6) is measured by ELISA. Cell viability is assessed using MTT or similar assays. The compound's ability to modulate inflammatory responses and skin barrier function is evaluated. IC₅₀ values are calculated from dose-response curves.
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| Animal Protocol |
In vivo animal studies for 1H-imidazole-4-carboxylic acid are being conducted as part of clinical trial NCT00583895 for atopic dermatitis. Preclinical studies would involve topical application of the compound to animal models of dermatitis. Skin irritation, inflammation, and barrier function would be evaluated. Pharmacokinetics and safety would be assessed in appropriate animal models. The compound's efficacy in reducing dermatitis symptoms would be evaluated. Further details of in vivo studies are not available in the public literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 1H-imidazole-4-carboxylic acid is limited. The compound has a molecular weight of 112.09 g/mol and a molecular formula of C₄H₄N₂O₂. It is a solid at room temperature and is soluble in water and polar organic solvents. As a small, polar molecule, it is expected to have good aqueous solubility and potential for topical or systemic absorption. Specific ADME data is not available. The compound is stored in a dry, cool place.
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| Toxicity/Toxicokinetics |
1H-Imidazole-4-carboxylic acid is classified for research use and is under investigation in clinical trials. Standard safety precautions include handling with appropriate personal protective equipment (gloves, lab coat, safety goggles) in a well-ventilated area. The compound should be stored in a dry, cool place away from incompatible materials. Acute toxicity data is limited. As with all research chemicals, appropriate laboratory safety practices should be followed. No specific LD₅₀ values are available in the public domain.
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| Additional Infomation |
3H-Imidazole-4-carboxylic acid is a type of imidazole compound. Imidazole-4-carboxylic acid is currently being investigated in the clinical trial NCT00583895 (Safety and efficacy study of Imcooh cream in patients with moderate atopic dermatitis).
1H-Imidazole-4-carboxylic acid (4-Imidazolecarboxylic acid, CAS 1072-84-0) is a biochemical reagent with the molecular formula C₄H₄N₂O₂. It contains an imidazole group and a carboxylate group and has been utilized to generate coordination polymers. The compound is under investigation in clinical trial NCT00583895 for the treatment of moderate atopic dermatitis. It is classified as a research-use compound and is available from multiple commercial suppliers. |
| Molecular Formula |
C4H4N2O2
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| Molecular Weight |
112.09
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| Exact Mass |
112.027
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| CAS # |
1072-84-0
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| PubChem CID |
14080
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| Appearance |
Off-white to light brown solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
495.0±18.0 °C at 760 mmHg
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| Melting Point |
294-295 °C(lit.)
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| Flash Point |
253.2±21.2 °C
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| Vapour Pressure |
0.0±1.3 mmHg at 25°C
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| Index of Refraction |
1.617
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| LogP |
0.46
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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 |
O([H])C(C1=C([H])N=C([H])N1[H])=O
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| InChi Key |
NKWCGTOZTHZDHB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C4H4N2O2/c7-4(8)3-1-5-2-6-3/h1-2H,(H,5,6)(H,7,8)
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| Chemical Name |
1H-imidazole-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) |
DMSO: 10 mg/mL (89.21 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1 mg/mL (8.92 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 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: ≥ 1 mg/mL (8.92 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 10.0 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: ≥ 1 mg/mL (8.92 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.
Link: https://clinicaltrials.gov/ct2/show/NCT00583895
Conditions:Atopic DermatitisProducts are for research use only; We do not sell to patients
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