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| Other Sizes |
| Targets |
Imidazol-1-yl-acetic acid does not have a well-defined pharmacological target, as it is primarily a metabolite and chemical intermediate. It may interact with various enzymes and receptors, but its specific binding targets have not been fully characterized. The compound's imidazole and carboxylic acid groups make it capable of forming hydrogen bonds and ionic interactions with biological molecules. It is not used as a therapeutic agent.
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|---|---|
| ln Vitro |
Imidazol-1-yl-acetic acid does not possess significant pharmacological activity as a pure compound in typical in vitro assays, as it is primarily a metabolite and chemical intermediate. Studies may involve evaluating its use as a building block in organic synthesis or its presence as a metabolite in biological samples. The compound is not studied for specific biological activities. Its main applications are in chemical synthesis.
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| ln Vivo |
In vivo activity of Imidazol-1-yl-acetic acid is related to its role as a metabolite. It is metabolized by the body and excreted. However, the compound is not used therapeutically, and comprehensive in vivo studies evaluating its pharmacokinetic properties, efficacy, and safety are limited. Its toxicity profile is primarily related to its use as a chemical intermediate.
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| Enzyme Assay |
In vitro enzyme/receptor binding experiments for Imidazol-1-yl-acetic acid are not typical, as it is a metabolite rather than a pharmacologically active compound. Studies may involve measuring its presence as a metabolite in biological samples. Its chemical properties are characterized using standard analytical methods such as HPLC and mass spectrometry. The compound is also used as a reference standard in analytical chemistry.
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| Cell Assay |
In vitro cellular experiments for Imidazol-1-yl-acetic acid are not typical, as it is a metabolite rather than a pharmacologically active compound. The compound may be used in studies to evaluate its cytotoxicity or its metabolism in cell lines. However, comprehensive in vitro cellular studies are limited. The compound's imidazole group can interact with cellular targets, but its activity is not well characterized.
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| Animal Protocol |
In vivo animal experiments for Imidazol-1-yl-acetic acid are not typical, as it is a metabolite rather than a drug candidate. Studies may involve administering the compound to animals to study its metabolism. However, comprehensive in vivo studies evaluating its pharmacokinetic properties are limited.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Imidazol-1-yl-acetic acid have not been extensively characterized. With a molecular weight of 126.11, the compound is expected to have moderate water solubility. It is insoluble in DMSO and ethanol and has a melting point of 260-269°C. Detailed pharmacokinetic studies are limited.
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| Toxicity/Toxicokinetics |
Toxicological data for Imidazol-1-yl-acetic acid are limited. As a carboxylic acid and imidazole, it may cause skin and eye irritation. The compound should be handled with care, and standard safety protocols for handling carboxylic acids and imidazoles should be followed, including the use of personal protective equipment and working in a well-ventilated area.
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| Additional Infomation |
Imidazol-1-ylacetic acid is an imidazole carboxylic acid, a compound in which one methyl hydrogen atom in the acetic acid molecule is replaced by an imidazole-1-yl group. It is a metabolite functionally related to acetic acid.
Imidazol-1-yl-acetic acid is a research compound that has not entered clinical trials or received regulatory approval for therapeutic use. It is primarily used as a building block in organic synthesis and as a reference standard in analytical chemistry. The compound is also a metabolite and is known as 2-(1H-imidazol-1-yl)acetic acid. Further research is needed to explore its potential biological activities. |
| Molecular Formula |
C₅H₆N₂O₂
|
|---|---|
| Molecular Weight |
126.11
|
| Exact Mass |
126.042
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| CAS # |
22884-10-2
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| PubChem CID |
656129
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
392.1±25.0 °C at 760 mmHg
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| Melting Point |
257-260 ºC
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| Flash Point |
190.9±23.2 °C
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| Vapour Pressure |
0.0±1.0 mmHg at 25°C
|
| Index of Refraction |
1.588
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| LogP |
-0.57
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| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
9
|
| Complexity |
116
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
QAFBDRSXXHEXGB-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C5H6N2O2/c8-5(9)3-7-2-1-6-4-7/h1-2,4H,3H2,(H,8,9)
|
| Chemical Name |
2-imidazol-1-ylacetic acid
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| Synonyms |
Imidazol1ylacetic acid; Imidazol 1 yl acetic 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 : ~2 mg/mL (~15.86 mM)
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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 | 7.9296 mL | 39.6479 mL | 79.2959 mL | |
| 5 mM | 1.5859 mL | 7.9296 mL | 15.8592 mL | |
| 10 mM | 0.7930 mL | 3.9648 mL | 7.9296 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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