Cas no 1353499-28-1 (Methyl 6-methoxy-5-methyl-4-pyrimidinecarboxylate)
Methyl 6-methoxy-5-methyl-4-pyrimidinecarboxylate Chemical and Physical Properties
Names and Identifiers
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- Methyl 6-methoxy-5-methyl-4-pyrimidinecarboxylate
- methyl 6-methoxy-5-methylpyrimidine-4-carboxylate
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- MDL: MFCD21090716
- Inchi: 1S/C8H10N2O3/c1-5-6(8(11)13-3)9-4-10-7(5)12-2/h4H,1-3H3
- InChI Key: VKYOMASQLXPBAN-UHFFFAOYSA-N
- SMILES: O(C)C1=C(C)C(C(=O)OC)=NC=N1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 186
- XLogP3: 1.1
- Topological Polar Surface Area: 61.3
Methyl 6-methoxy-5-methyl-4-pyrimidinecarboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Matrix Scientific | 174881-1g |
Methyl 6-methoxy-5-methyl-4-pyrimidinecarboxylate |
1353499-28-1 | 1g |
$432.00 | 2023-09-06 | ||
| Matrix Scientific | 174881-5g |
Methyl 6-methoxy-5-methyl-4-pyrimidinecarboxylate |
1353499-28-1 | 5g |
$1206.00 | 2023-09-06 | ||
| Matrix Scientific | 174881-10g |
Methyl 6-methoxy-5-methyl-4-pyrimidinecarboxylate |
1353499-28-1 | 10g |
$1602.00 | 2023-09-06 |
Methyl 6-methoxy-5-methyl-4-pyrimidinecarboxylate Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
Additional information on Methyl 6-methoxy-5-methyl-4-pyrimidinecarboxylate
Methyl 6-methoxy-5-methyl-4-pyrimidinecarboxylate (CAS No. 1353499-28-1): A Comprehensive Overview
Methyl 6-methoxy-5-methyl-4-pyrimidinecarboxylate (CAS No. 1353499-28-1) is a significant compound in the field of pharmaceutical chemistry, exhibiting a unique structural framework that has garnered considerable attention from researchers. This pyrimidine derivative, characterized by its methoxy and methyl substituents, holds promise in various biochemical applications, particularly in the development of novel therapeutic agents.
The molecular structure of Methyl 6-methoxy-5-methyl-4-pyrimidinecarboxylate consists of a pyrimidine core substituted with a methoxy group at the 6-position and a methyl group at the 5-position, along with a carboxylate ester group at the 4-position. This specific arrangement imparts distinct chemical properties that make it an attractive candidate for further exploration in medicinal chemistry.
In recent years, the interest in pyrimidine derivatives has surged due to their diverse biological activities. Pyrimidines are fundamental components of nucleic acids, and their derivatives have been extensively studied for their potential as pharmacophores. The presence of both methoxy and methyl groups in Methyl 6-methoxy-5-methyl-4-pyrimidinecarboxylate enhances its versatility, enabling interactions with various biological targets.
One of the most compelling aspects of this compound is its potential role in the development of antiviral and anticancer agents. The pyrimidine scaffold is well-documented for its ability to mimic natural nucleobases, making it a key component in designing inhibitors that disrupt viral replication or cancer cell proliferation. Current research indicates that derivatives of pyrimidines can interfere with enzymes essential for these processes, thereby offering therapeutic benefits.
Recent studies have highlighted the importance of optimizing the substitution patterns on the pyrimidine ring to enhance bioactivity. The methoxy and methyl groups in Methyl 6-methoxy-5-methyl-4-pyrimidinecarboxylate contribute to its binding affinity by influencing the electronic and steric properties of the molecule. This fine-tuning of structural features is crucial for developing compounds with high selectivity and efficacy.
The synthesis of Methyl 6-methoxy-5-methyl-4-pyrimidinecarboxylate involves multi-step organic reactions that require precise control over reaction conditions. Advanced synthetic methodologies have been employed to achieve high yields and purity, ensuring that the final product meets the stringent requirements for pharmaceutical applications. Techniques such as palladium-catalyzed cross-coupling reactions have been particularly useful in constructing the desired pyrimidine core.
In addition to its pharmaceutical potential, Methyl 6-methoxy-5-methyl-4-pyrimidinecarboxylate has shown promise in agrochemical applications. Pyrimidine derivatives are known to exhibit herbicidal and fungicidal properties, making them valuable in crop protection strategies. The structural features of this compound may contribute to its ability to interact with biological targets in plants, offering a new avenue for developing sustainable agricultural solutions.
The regulatory landscape for novel compounds like Methyl 6-methoxy-5-methyl-4-pyrimidinecarboxylate is stringent but well-established, ensuring that only safe and effective agents reach the market. Researchers must navigate through rigorous testing protocols, including preclinical studies and clinical trials, to demonstrate the compound's safety and efficacy before it can be approved for therapeutic use. This rigorous process underscores the importance of thorough characterization and understanding of a compound's properties.
As our understanding of biological systems continues to evolve, so does our ability to design targeted therapies. The unique properties of Methyl 6-methoxy-5-methyl-4-pyrimidinecarboxylate position it as a promising candidate for future research endeavors. Continued exploration into its biological activities and potential therapeutic applications will likely uncover new opportunities for innovation in drug discovery.
The role of computational chemistry and molecular modeling has become increasingly integral in optimizing drug candidates like Methyl 6-methoxy-5-methyl-4-pyrimidinecarboxylate. These tools allow researchers to predict how a compound will interact with biological targets at a molecular level, facilitating the design of more effective therapeutics. By integrating experimental data with computational methods, scientists can accelerate the drug discovery process and reduce costs associated with traditional trial-and-error approaches.
In conclusion, Methyl 6-methoxy-5-methyl-4-pyrimidinecarboxylate (CAS No. 1353499-28-1) represents a significant advancement in pharmaceutical chemistry due to its unique structural features and potential biological activities. Its role in antiviral and anticancer research, along with its agrochemical applications, underscores its versatility as a chemical entity. As research progresses, this compound is poised to contribute to groundbreaking discoveries that could improve human health and agricultural productivity.
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