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| 10mg |
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| Targets |
Human Endogenous Metabolite
Ethylglucuronide targets the glucuronidation pathway as a metabolite of ethanol. It is formed by the conjugation of ethanol with glucuronic acid catalyzed by UGT enzymes in the liver. As a biomarker, it reflects recent alcohol consumption and is used to monitor alcohol intake in clinical and forensic settings. |
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| ln Vitro |
In vitro, ethylglucuronide is used as a reference standard in analytical chemistry for the detection and quantification of alcohol metabolites in biological samples. It is employed in the development and validation of LC-MS/MS and immunoassay methods for alcohol biomarker testing. The compound's stability and specificity make it an ideal marker for alcohol consumption.
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| ln Vivo |
In vivo, ethylglucuronide is formed after alcohol consumption and is excreted in urine. It can be detected in urine for up to several days after alcohol intake, providing a longer window of detection compared to ethanol itself. This makes it a valuable biomarker for monitoring alcohol abstinence in clinical and forensic contexts.
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| Enzyme Assay |
In vitro enzyme assays for ethylglucuronide typically measure the activity of UDP-glucuronosyltransferase (UGT) enzymes in the presence of ethanol and UDP-glucuronic acid. The formation of ethylglucuronide is quantified by LC-MS/MS or other chromatographic methods. The assays are used to study the kinetics of ethanol glucuronidation and the effects of genetic polymorphisms or drug interactions on UGT activity.
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| Cell Assay |
In vitro cell experiments with ethylglucuronide are not commonly performed, as the compound is primarily used as a biomarker rather than a therapeutic agent. However, hepatocyte cultures may be used to study the formation of ethylglucuronide from ethanol and to assess the effects of various compounds on UGT-mediated ethanol metabolism.
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| Animal Protocol |
In vivo animal experiments with ethylglucuronide involve administering ethanol to animal models and measuring the levels of ethylglucuronide in urine, blood, or other biological fluids. This approach is used to study ethanol metabolism, the effects of genetic or environmental factors on alcohol metabolism, and the validation of biomarkers for alcohol consumption.
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| ADME/Pharmacokinetics |
Ethylglucuronide is a water-soluble metabolite that is excreted in urine. It has a longer half-life than ethanol, allowing for detection of alcohol consumption for up to several days after intake. The compound is stable in biological samples under proper storage conditions. Its formation is dependent on the activity of UGT enzymes and the availability of UDP-glucuronic acid.
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| Toxicity/Toxicokinetics |
Ethylglucuronide is generally considered non-toxic as a metabolite of ethanol. However, its presence indicates recent alcohol consumption, which may be associated with the toxic effects of ethanol itself. The compound is not known to exert any pharmacological or toxicological effects on its own. It is used solely as a biomarker for alcohol intake.
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| Additional Infomation |
Ethyl glucuronide is an ethyl derivative of β-D-glucuronic acid, belonging to the β-D-glucuronic acid derivative family. It is a metabolic product found in human urine. Ethyl glucuronide has been reported in the Mexican axolotl (Ambystoma mexicanum), and relevant data are available for reference.
Ethylglucuronide is a well-established biomarker for alcohol consumption in clinical and forensic settings. It is used in drug testing, alcohol abstinence monitoring, and forensic toxicology. No therapeutic indications exist for this compound. Its mechanism of action is as a metabolite formed by the conjugation of ethanol with glucuronic acid in the liver. |
| Molecular Formula |
C8H14O7
|
|---|---|
| Molecular Weight |
222.19
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| Exact Mass |
222.073
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| CAS # |
17685-04-0
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| Related CAS # |
Ethyl glucuronide-d5;1135070-98-2
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| PubChem CID |
18392195
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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 |
460.0±45.0 °C at 760 mmHg
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| Melting Point |
160-161ºC
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| Flash Point |
187.3±22.2 °C
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| Vapour Pressure |
0.0±2.6 mmHg at 25°C
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| Index of Refraction |
1.555
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| LogP |
-2.21
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
15
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| Complexity |
231
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| Defined Atom Stereocenter Count |
5
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| SMILES |
CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
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| InChi Key |
IWJBVMJWSPZNJH-UQGZVRACSA-N
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| InChi Code |
InChI=1S/C8H14O7/c1-2-14-8-5(11)3(9)4(10)6(15-8)7(12)13/h3-6,8-11H,2H2,1H3,(H,12,13)/t3-,4-,5+,6-,8+/m0/s1
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| Chemical Name |
(2S,3S,4S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxane-2-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 Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). 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) |
H2O: 125 mg/mL (562.58 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 | 4.5007 mL | 22.5033 mL | 45.0065 mL | |
| 5 mM | 0.9001 mL | 4.5007 mL | 9.0013 mL | |
| 10 mM | 0.4501 mL | 2.2503 mL | 4.5007 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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