Cas no 2860-55-1 (2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid)
2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid
- 3,4-Pyridinedicarboxylicacid, 1,2-dihydro-6-methyl-2-oxo-
- 6-methyl-2-oxo-1H-pyridine-3,4-dicarboxylic acid
- 2-Hydroxy-6-methyl-pyridin-3,4-dicarbonsaeure
- 6-methyl-2-oxo-1,2-dihydropyridine-3,4-dicarboxylic acid
- NSC-126866
- 2860-55-1
- SB52791
- CS-0081571
- 2-Hydroxy-6-methylpyridine-3,4-dicarboxylicacid
- 6-methyl-2-oxo-1H-pyridine-3, 4-dicarboxylic acid
- FS-6199
- NSC126866
- MFCD20639298
- D74334
- CAA86055
- CHEMBL1684099
- A876678
- DTXSID40298904
- AKOS016001101
-
- MDL: H183436
- Inchi: 1S/C8H7NO5/c1-3-2-4(7(11)12)5(8(13)14)6(10)9-3/h2H,1H3,(H,9,10)(H,11,12)(H,13,14)
- InChI Key: NRDIWFNIJGTANY-UHFFFAOYSA-N
- SMILES: O=C1C(C(=O)O)=C(C(=O)O)C=C(C)N1
Computed Properties
- Exact Mass: 197.03200
- Monoisotopic Mass: 197.032
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 391
- 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
- Topological Polar Surface Area: 104A^2
- XLogP3: 0.1
Experimental Properties
- Density: 1.589
- Boiling Point: 414.1°Cat760mmHg
- Flash Point: 204.2°C
- Refractive Index: 1.603
- PSA: 107.46000
- LogP: 0.07970
- Vapor Pressure: 0.0±2.1 mmHg at 25°C
2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid Customs Data
- HS CODE:2933399090
- Customs Data:
China Customs Code:
2933399090Overview:
2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | H183436-5g |
2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid |
2860-55-1 | 95% | 5g |
¥5871.90 | 2023-09-02 | |
| Fluorochem | 217170-1g |
2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid |
2860-55-1 | 95% | 1g |
£188.00 | 2022-03-01 | |
| Fluorochem | 217170-5g |
2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid |
2860-55-1 | 95% | 5g |
£750.00 | 2022-03-01 | |
| Alichem | A029190887-5g |
2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid |
2860-55-1 | 95% | 5g |
$470.40 | 2023-09-02 | |
| Chemenu | CM171486-5g |
2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid |
2860-55-1 | 95% | 5g |
$533 | 2021-08-05 | |
| TRC | H972685-100mg |
2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid |
2860-55-1 | 100mg |
$98.00 | 2023-05-18 | ||
| TRC | H972685-250mg |
2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid |
2860-55-1 | 250mg |
$190.00 | 2023-05-18 | ||
| TRC | H972685-500mg |
2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid |
2860-55-1 | 500mg |
$293.00 | 2023-05-18 | ||
| TRC | H972685-1g |
2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid |
2860-55-1 | 1g |
$414.00 | 2023-05-18 | ||
| Chemenu | CM171486-5g |
2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid |
2860-55-1 | 95% | 5g |
$533 | 2022-09-01 |
2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
Additional information on 2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid
Introduction to 2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid (CAS No. 2860-55-1)
2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid, identified by its Chemical Abstracts Service (CAS) number 2860-55-1, is a significant compound in the field of chemical biology and pharmaceutical research. This heterocyclic dicarboxylic acid derivative has garnered attention due to its unique structural properties and potential applications in drug development, particularly in the synthesis of novel therapeutic agents. The presence of both hydroxyl and carboxyl functional groups, coupled with its pyridine core, makes it a versatile scaffold for medicinal chemists exploring new pharmacophores.
The compound's structure, featuring a 6-methylpyridine backbone with substituents at the 3 and 4 positions, contributes to its reactivity and biological activity. Such structural motifs are often explored in the design of inhibitors targeting enzyme-catalyzed pathways, making 2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid a valuable intermediate in synthetic chemistry. Recent studies have highlighted its role in the development of small-molecule modulators for various biological targets, including metabolic enzymes and signaling proteins.
In the realm of drug discovery, the carboxyl groups in 2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid provide opportunities for further derivatization, enabling the creation of more complex molecules with enhanced binding affinity and selectivity. Researchers have leveraged this compound to synthesize analogs that exhibit promising activity against diseases such as cancer and inflammatory disorders. The hydroxyl group at the 2 position also serves as a potential site for hydrogen bonding interactions, which are critical for optimizing drug-receptor interactions.
Recent advancements in computational chemistry have facilitated the exploration of 2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid's pharmacological potential. Molecular docking studies have identified its binding pockets in target proteins, providing insights into how modifications at specific positions could improve therapeutic efficacy. For instance, modifications at the 3 and 4 carboxyl groups have been shown to enhance binding to certain enzyme families involved in cellular metabolism. These findings underscore the compound's significance as a building block in medicinal chemistry.
The synthesis of 2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid itself is an area of active interest. Modern synthetic methodologies have enabled more efficient and scalable production processes, reducing costs and improving availability for research purposes. Techniques such as multi-step organic synthesis combined with catalytic hydrogenation have been employed to achieve high yields of this intermediate. Additionally, green chemistry principles have been applied to minimize waste and improve sustainability in its production.
Beyond its pharmaceutical applications, 2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid has found utility in materials science and chemical biology research. Its ability to chelate metal ions makes it a candidate for developing metal-based catalysts or sensors. Furthermore, its structural features allow it to act as a ligand in coordination chemistry experiments, aiding in the study of metalloprotein interactions.
The compound's role in modulating biological pathways has been further explored through preclinical studies. Researchers have investigated its effects on key enzymes such as cytochrome P450 monooxygenases and mitochondrial transporters. These studies suggest that derivatives of 2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid could serve as lead compounds for drugs targeting metabolic disorders or neurodegenerative diseases. The dual functionality of this molecule—hydroxyl and carboxyl groups—provides multiple points for interaction with biological targets, enhancing its versatility.
In conclusion,2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid (CAS No. 2860-55-1) is a multifaceted compound with significant potential in pharmaceutical and chemical research. Its unique structural features enable diverse applications, from drug development to material science. As research continues to uncover new therapeutic opportunities,2-Hydroxy-6-methylpyridine-3, 4-dicarboxylic acid is poised to remain a cornerstone in synthetic chemistry and medicinal innovation.
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