17685-04-0, ETG,Ethyl-β-D-glucuronide, CAS:17685-04-0
C8H14O7 / 222.19
MFCD09037574
Ethyl glucuronide is a beta-D-glucosiduronic acid that is the ethyl derivative of beta-D-glucuronic acid. It has a role as a human urinary metabolite.
Ethyl β-D-glucuronide is a metabolite of ethanol. Detection of this compound may be used to diagnose alcohol consumption during pregnancy. The detection time is approximately 5 hours after a single drink. D3-Ethyl β-D-glucuronide can be reliably detected in maternal blood using solid phase microextraction and LC-MS/MS methods. The body mass index (BMI) can be used to determine the risk for alcohol consumption during pregnancy, with higher BMIs indicating an increased risk. Logistic regression models were created to estimate the probability of D3-Ethyl β-D glucuronide being present in maternal blood and the probability of alcohol consumption during pregnancy given a positive result. These models were then used to create diagnostic tools that are sensitive enough for clinical use.
Ethyl glucuronide (EtG) is a direct metabolite of ethyl alcohol. It is a naturally occurring substance which is produced by the liver when alcohol is metabolized, and is excreted in the urine. It is considered a specific biomarker for alcohol consumption and is used to verify abstinence in alcohol-related treatment programs. The accurate detection of EtG in biological matrices has become increasingly important in recent years, and various analytical methods have been developed for its measurement.
Physical and Chemical Properties:
EtG has the chemical formula C8H14O7. It is a polar molecule and is highly water-soluble. It is stable under physiological conditions and is not affected by common preservation methods. EtG is relatively stable in urine and can be detected for up to 80 hours after alcohol consumption.
Synthesis and Characterization:
EtG can be synthesized by the enzymatic conjugation of ethyl alcohol with glucuronic acid. The resulting EtG molecule is highly stable and is not easily hydrolyzed by enzymes or acid. EtG can be characterized using various analytical techniques such as chromatography, mass spectrometry, and nuclear magnetic resonance spectroscopy.
Analytical Methods:
Various analytical methods have been developed for the measurement of EtG. These include liquid chromatography-mass spectrometry, gas chromatography-mass spectrometry, enzyme-linked immunosorbent assay, and direct injection mass spectrometry. Each method has its advantages and limitations, and the choice of method depends on the specific requirements of the analysis.
Biological Properties:
EtG is excreted in urine and can be detected for up to 80 hours after alcohol consumption. Factors such as gender, age, and liver function can affect the excretion of EtG. EtG can also be detected in hair and nail samples, which can provide an extended period of detection.
Toxicity and Safety in Scientific Experiments:
EtG has been found to have low toxicity in scientific experiments. However, the effects of prolonged exposure to EtG are not well understood. More research is needed to determine the long-term safety of EtG.
Applications in Scientific Experiments:
EtG is widely used as a biomarker for alcohol consumption in scientific experiments. It is also used to verify abstinence in alcohol-related treatment programs and to monitor compliance with court-ordered abstinence.
Current State of Research:
Research on EtG is ongoing, with new analytical methods and applications being developed. The accuracy and reliability of EtG testing are also being continually improved.
Potential Implications in Various Fields of Research and Industry:
EtG has applications in various fields of research and industry, including law enforcement, pharmacology, and occupational safety. Its accurate detection and measurement can help in the prevention and treatment of alcohol-related problems.
Limitations and Future Directions:
There are limitations to the use of EtG as a biomarker for alcohol consumption. False positives can occur due to the presence of other substances that can produce EtG in the body. More research is needed to address these limitations and to improve the accuracy and reliability of EtG testing.
Future Directions:
There are several future directions for research on EtG, which include:
1. Development of new analytical methods for the measurement of EtG in biological samples.
2. Investigation of the long-term safety of EtG.
3. Exploration of the potential applications of EtG in fields such as pharmacology and occupational safety.
4. Development of new technologies for the detection and monitoring of EtG in real-time.
5. Investigation of the relationship between EtG and alcohol-related diseases such as liver disease and alcoholism.
6. Study the correlation between EtG levels and impairment and it's implications in the operation of machinery and vehicles.
Conclusion:
EtG is a specific biomarker for alcohol consumption which has multiple applications in scientific experiments and industry. Its accurate detection and measurement are crucial for the prevention and treatment of alcohol-related problems. Further research on EtG is necessary to address its limitations and to expand its potential applications.
CAS No: 17685-04-0 MDL No: MFCD09037574 Chemical Formula: C8H14O7 Molecular Weight: 222.19 | In Stock,国产现货高纯,白色结晶粉末. |
CAS Number | 17685-04-0 |
Product Name | Ethyl glucuronide |
IUPAC Name | (2S,3S,4S,5R)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
Molecular Formula | C₈H₁₄O₇ |
Molecular Weight | 222.19 g/mol |
InChI | 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 |
InChI Key | IWJBVMJWSPZNJH-XWBUKDKVSA-N |
SMILES | CCOC1C(C(C(C(O1)C(=O)O)O)O)O |
Synonyms | ethyl beta-D-6-glucosiduronic acid, ethyl glucuronide, ethyl-beta-D-glucopyranosiduronic acid, ethylglucuronide |
Canonical SMILES | CCOC1C(C(C(C(O1)C(=O)O)O)O)O |
Isomeric SMILES | CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O |
COA:
Product name: Ethyl β-D-glucuronide; EtG CAS: 17685-04-0
M.F.: C8H14O7 M.W.: 222.19
Items | Standards | Results |
Appearance | White crystal powder | Complies |
Solubility | Insoluble in CHCl3, easily soluble in water | Complies |
Identification | IR and HPLC | Complies |
NMR and MS | Should comply | Complies |
Residue on ignition | Max. 0.5% | 0.1% |
Heavy metal | Max.20ppm | Complies |
Water | Max. 1% | 0.2% |
Purity by HPLC | Min. 95% | 97.4% |
TLC | Should be one spot | one spot |
Assay by titration | Min. 98% | 98.4% |
*Ethyl β-D-glucuronide is a reference standard for the detection of alcohol metabolites in blood or urine after ingestion.
References:
1. Jurado C, Soriano T, Giménez MP, Menéndez M,
, Forensic Sci. Int., 2004, 145, 3, p161
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