Cas no 2044276-17-5 (Glycoursodeoxycholic Acid-d4 (Major))
Glycoursodeoxycholic Acid-d4 (Major) Chemical and Physical Properties
Names and Identifiers
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- Glycoursodeoxycholic acid-2,2,4,4-[d4]
- Glycochenodeoxycholic acid-2,2,4,4-[d4]
- 2-[4-(3,7-Dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]
- Glycoursodeoxycholic Acid-d4 (Major)
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- MDL: MFCD06658890
- Inchi: 1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)
- InChI Key: GHCZAUBVMUEKKP-UHFFFAOYSA-N
- SMILES: OC1CC2CC(CCC2(C)C2CCC3(C)C(C(C)CCC(NCC(=O)O)=O)CCC3C21)O
Computed Properties
- Exact Mass: 449.31412347 g/mol
- Monoisotopic Mass: 449.31412347 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 32
- Rotatable Bond Count: 6
- Complexity: 727
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 10
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 107
- Molecular Weight: 449.6
Glycoursodeoxycholic Acid-d4 (Major) Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | G679553-1mg |
Glycoursodeoxycholic Acid-d4 (Major) |
2044276-17-5 | 1mg |
$ 153.00 | 2023-09-07 | ||
| TRC | G679553-10mg |
Glycoursodeoxycholic Acid-d4 (Major) |
2044276-17-5 | 10mg |
$ 1211.00 | 2023-09-07 | ||
| ChemScence | CS-0201093-10mg |
Glycoursodeoxycholic Acid-d4 |
2044276-17-5 | 10mg |
$0.0 | 2022-04-27 | ||
| ChemScence | CS-0201093-1mg |
Glycoursodeoxycholic Acid-d4 |
2044276-17-5 | 1mg |
$0.0 | 2022-04-27 | ||
| Cooke Chemical | LN4288449-100ug |
GlycoursodeoxycholicAcid-d4MaxSpec?Standard |
2044276-17-5 | ≥99% | 100ug |
RMB 772.00 | 2023-09-07 | |
| 1PlusChem | 1P01LJ35-1mg |
N-[(3α,5β,7β)-3,7-dihydroxy-24-oxocholan-24-yl-2,2,4,4-d |
2044276-17-5 | ≥99% deuterated forms (d1-d4) | 1mg |
$84.00 | 2023-12-19 | |
| 1PlusChem | 1P01LJ35-5mg |
N-[(3α,5β,7β)-3,7-dihydroxy-24-oxocholan-24-yl-2,2,4,4-d |
2044276-17-5 | ≥99% deuterated forms (d1-d4) | 5mg |
$201.00 | 2023-12-19 | |
| 1PlusChem | 1P01LJ35-10mg |
N-[(3α,5β,7β)-3,7-dihydroxy-24-oxocholan-24-yl-2,2,4,4-d |
2044276-17-5 | ≥99% deuterated forms (d1-d4) | 10mg |
$292.00 | 2023-12-19 | |
| A2B Chem LLC | BA83329-1mg |
N-[(3α,5β,7β)-3,7-dihydroxy-24-oxocholan-24-yl-2,2,4,4-d<sub>4</sub>]-glycine |
2044276-17-5 | ≥99% deuterated forms (d1-d4) | 1mg |
$40.00 | 2024-04-20 | |
| A2B Chem LLC | BA83329-5mg |
N-[(3α,5β,7β)-3,7-dihydroxy-24-oxocholan-24-yl-2,2,4,4-d<sub>4</sub>]-glycine |
2044276-17-5 | ≥99% deuterated forms (d1-d4) | 5mg |
$136.00 | 2024-04-20 |
Glycoursodeoxycholic Acid-d4 (Major) Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Glycinated bile acids and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives Glycinated bile acids and derivatives
Additional information on Glycoursodeoxycholic Acid-d4 (Major)
Comprehensive Overview of Glycoursodeoxycholic Acid-d4 (Major) (CAS No. 2044276-17-5): Applications, Mechanisms, and Research Insights
Glycoursodeoxycholic Acid-d4 (Major), identified by its CAS number 2044276-17-5, is a deuterium-labeled derivative of glycoursodeoxycholic acid (GUDCA), a naturally occurring bile acid. This compound has garnered significant attention in pharmaceutical and biomedical research due to its unique isotopic labeling, which enhances its utility in metabolic studies, drug development, and diagnostic applications. The incorporation of four deuterium atoms (d4) provides distinct advantages in mass spectrometry and NMR spectroscopy, making it a critical tool for tracing metabolic pathways and quantifying biological samples with high precision.
The growing demand for stable isotope-labeled compounds like Glycoursodeoxycholic Acid-d4 reflects broader trends in precision medicine and personalized therapeutics. Researchers frequently search for terms such as "deuterated bile acids in liver disease research" or "isotope-labeled biomarkers for metabolic disorders," highlighting the compound's relevance to current health challenges. Its role in studying cholestatic liver diseases, non-alcoholic fatty liver disease (NAFLD), and gut microbiota interactions aligns with rising global concerns about metabolic health and digestive disorders.
From a chemical perspective, Glycoursodeoxycholic Acid-d4 retains the amphipathic properties of its parent molecule, enabling it to interact with cellular membranes and receptors such as the farnesoid X receptor (FXR) and TGR5. These interactions modulate lipid metabolism, inflammation, and glucose homeostasis, making it a valuable probe for investigating bile acid signaling pathways. Recent studies have also explored its potential in neuroprotective therapies, linking bile acid metabolism to neurodegenerative conditions like Parkinson’s and Alzheimer’s diseases—a topic gaining traction in academic and clinical circles.
In the context of drug formulation, the deuterium labeling in CAS 2044276-17-5 mitigates the "first-pass effect" by slowing hepatic metabolism, thereby improving bioavailability. This property is particularly relevant for oral drug delivery systems, a hot topic in pharmacokinetic optimization. Additionally, its use in LC-MS/MS assays for bile acid profiling addresses the need for reliable biomarker quantification in clinical diagnostics, answering frequent queries like "how to measure bile acids in serum" or "best internal standards for bile acid analysis."
Beyond the laboratory, Glycoursodeoxycholic Acid-d4 intersects with consumer interest in gut health supplements and detoxification. While not a supplement itself, its research applications inform the development of next-generation nutraceuticals targeting microbiome balance—a trending niche in wellness industries. Regulatory compliance ensures its safe use in research, avoiding any association with controlled substances or hazardous materials, which is a key consideration for procurement specialists searching for "high-purity deuterated standards."
The synthesis and purification of Glycoursodeoxycholic Acid-d4 (Major) adhere to stringent GMP and ISO guidelines, ensuring batch-to-batch consistency for reproducible results. This reliability is critical for publications and regulatory submissions, addressing common concerns like "certified reference materials for FDA compliance". Furthermore, its stability under various storage conditions (-20°C, desiccated) makes it a practical choice for long-term studies, a detail often queried by lab managers.
In summary, CAS 2044276-17-5 represents a convergence of cutting-edge science and real-world health applications. Its versatility in addressing metabolic research questions, coupled with its technical advantages in analytical chemistry, positions it as a cornerstone compound in modern biomedicine. As interest in bile acid therapeutics and isotope-aided diagnostics grows, Glycoursodeoxycholic Acid-d4 will undoubtedly remain a focal point for innovation and discovery.
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