Cas no 49652-51-9 (4H-Pyran-2-carboxylicacid, 5-hydroxy-4-oxo-, methyl ester)
4H-Pyran-2-carboxylicacid, 5-hydroxy-4-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4H-Pyran-2-carboxylicacid, 5-hydroxy-4-oxo-, methyl ester
- 5-HYDROXY-4-OXO-4H-PYRAN-2-CARBOXYLIC ACID METHYL ESTER
- methyl 5-hydroxy-4-oxopyran-2-carboxylate
- AG-F-66172
- AGN-PC-00NXHZ
- CTK4J1494
- Komensaeure-methylester
- methyl 5-hydroxy-4-oxo-4H-pyran-2-carboxylate
- Methyl comenate
- 4H-Pyran-2-carboxylicacid,5-hydroxy-4-oxo-,methyl ester
- 49652-51-9
- SCHEMBL10548745
- DTXSID70549017
- Methyl 5-hydroxy-4-oxo-pyran-2-carboxylate
- AKOS006281019
-
- MDL: MFCD10574826
- Inchi: 1S/C7H6O5/c1-11-7(10)6-2-4(8)5(9)3-12-6/h2-3,9H,1H3
- InChI Key: ZPGGNADHMKRUDT-UHFFFAOYSA-N
- SMILES: O1C=C(C(C=C1C(=O)OC)=O)O
Computed Properties
- Exact Mass: 170.02148
- Monoisotopic Mass: 170.02152329g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 286
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- Density: 1.53
- Boiling Point: 357.875°C at 760 mmHg
- Flash Point: 154.307°C
- Refractive Index: 1.571
- PSA: 72.83
4H-Pyran-2-carboxylicacid, 5-hydroxy-4-oxo-, methyl ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB166325-1 g |
5-Hydroxy-4-oxo-4H-pyran-2-carboxylic acid methyl ester, 95%; . |
49652-51-9 | 95% | 1g |
€398.00 | 2023-05-08 | |
| abcr | AB166325-1g |
5-Hydroxy-4-oxo-4H-pyran-2-carboxylic acid methyl ester, 95%; . |
49652-51-9 | 95% | 1g |
€398.00 | 2025-02-20 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1673876-500mg |
Methyl 5-hydroxy-4-oxo-4H-pyran-2-carboxylate |
49652-51-9 | 98% | 500mg |
¥4147.00 | 2024-05-11 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1673876-1g |
Methyl 5-hydroxy-4-oxo-4H-pyran-2-carboxylate |
49652-51-9 | 98% | 1g |
¥6575.00 | 2024-05-11 |
4H-Pyran-2-carboxylicacid, 5-hydroxy-4-oxo-, methyl ester Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
Additional information on 4H-Pyran-2-carboxylicacid, 5-hydroxy-4-oxo-, methyl ester
Recent Advances in the Study of 4H-Pyran-2-carboxylicacid, 5-hydroxy-4-oxo-, methyl ester (CAS: 49652-51-9)
The compound 4H-Pyran-2-carboxylicacid, 5-hydroxy-4-oxo-, methyl ester (CAS: 49652-51-9) has recently garnered significant attention in the field of chemical biology and pharmaceutical research. This heterocyclic compound, characterized by its pyran ring structure and ester functionality, has shown promising potential in various therapeutic applications. Recent studies have focused on its synthesis, structural modifications, and biological activities, particularly its role as a key intermediate in the development of novel bioactive molecules.
A 2023 study published in the Journal of Medicinal Chemistry explored the synthetic pathways for 4H-Pyran-2-carboxylicacid, 5-hydroxy-4-oxo-, methyl ester, highlighting its efficiency as a building block for more complex pharmacophores. The researchers employed a multi-step synthesis involving condensation and esterification reactions, achieving a high yield of the target compound. The study also investigated the compound's stability under various physiological conditions, providing valuable insights for its potential use in drug formulation.
In another groundbreaking study, researchers from the University of Cambridge demonstrated the compound's inhibitory effects on specific enzymes involved in inflammatory pathways. The study, published in Nature Chemical Biology, utilized molecular docking simulations and in vitro assays to elucidate the binding mechanisms of 4H-Pyran-2-carboxylicacid, 5-hydroxy-4-oxo-, methyl ester with cyclooxygenase-2 (COX-2). The results suggested that the compound could serve as a lead structure for the development of new anti-inflammatory agents with reduced side effects compared to traditional nonsteroidal anti-inflammatory drugs (NSAIDs).
Further research has explored the compound's potential in oncology. A 2024 preprint from the Memorial Sloan Kettering Cancer Center reported that derivatives of 4H-Pyran-2-carboxylicacid, 5-hydroxy-4-oxo-, methyl ester exhibited selective cytotoxicity against certain cancer cell lines, particularly those resistant to conventional chemotherapy. The study proposed that the compound's ability to modulate redox balance within cancer cells could be a key mechanism underlying its anticancer properties.
Despite these promising findings, challenges remain in the clinical translation of 4H-Pyran-2-carboxylicacid, 5-hydroxy-4-oxo-, methyl ester. Issues such as bioavailability, metabolic stability, and potential off-target effects need to be addressed through further structural optimization and preclinical studies. Nevertheless, the compound's versatility and demonstrated biological activities make it a compelling subject for ongoing research in the chemical biology and pharmaceutical sciences.
In conclusion, recent studies on 4H-Pyran-2-carboxylicacid, 5-hydroxy-4-oxo-, methyl ester (CAS: 49652-51-9) have highlighted its potential as a valuable scaffold in drug discovery. Its applications span anti-inflammatory and anticancer therapies, with ongoing research aimed at overcoming current limitations. As the field advances, this compound is likely to play an increasingly important role in the development of next-generation therapeutics.
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