Cas no 2090256-13-4 (6-(Difluoromethyl)pyrimidine-4-carboxylic acid)
6-(Difluoromethyl)pyrimidine-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 6-(difluoromethyl)pyrimidine-4-carboxylic acid
- 6-(Difluoromethyl)pyrimidine-4-carboxylic acid
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- Inchi: 1S/C6H4F2N2O2/c7-5(8)3-1-4(6(11)12)10-2-9-3/h1-2,5H,(H,11,12)
- InChI Key: XPDKKYRVGVTLKM-UHFFFAOYSA-N
- SMILES: FC(C1C=C(C(=O)O)N=CN=1)F
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 177
- XLogP3: 0.7
- Topological Polar Surface Area: 63.1
6-(Difluoromethyl)pyrimidine-4-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D273401-100mg |
6-(Difluoromethyl)pyrimidine-4-carboxylic Acid |
2090256-13-4 | 100mg |
$ 185.00 | 2022-06-05 | ||
| TRC | D273401-500mg |
6-(Difluoromethyl)pyrimidine-4-carboxylic Acid |
2090256-13-4 | 500mg |
$ 705.00 | 2022-06-05 | ||
| TRC | D273401-1g |
6-(Difluoromethyl)pyrimidine-4-carboxylic Acid |
2090256-13-4 | 1g |
$ 1090.00 | 2022-06-05 | ||
| Enamine | EN300-396072-0.05g |
6-(difluoromethyl)pyrimidine-4-carboxylic acid |
2090256-13-4 | 95% | 0.05g |
$245.0 | 2023-11-13 | |
| Enamine | EN300-396072-0.1g |
6-(difluoromethyl)pyrimidine-4-carboxylic acid |
2090256-13-4 | 95% | 0.1g |
$366.0 | 2023-11-13 | |
| Enamine | EN300-396072-0.25g |
6-(difluoromethyl)pyrimidine-4-carboxylic acid |
2090256-13-4 | 95% | 0.25g |
$524.0 | 2023-11-13 | |
| Enamine | EN300-396072-0.5g |
6-(difluoromethyl)pyrimidine-4-carboxylic acid |
2090256-13-4 | 95% | 0.5g |
$824.0 | 2023-11-13 | |
| Enamine | EN300-396072-1.0g |
6-(difluoromethyl)pyrimidine-4-carboxylic acid |
2090256-13-4 | 95% | 1g |
$1057.0 | 2023-04-26 | |
| Enamine | EN300-396072-2.5g |
6-(difluoromethyl)pyrimidine-4-carboxylic acid |
2090256-13-4 | 95% | 2.5g |
$2071.0 | 2023-11-13 | |
| Enamine | EN300-396072-5.0g |
6-(difluoromethyl)pyrimidine-4-carboxylic acid |
2090256-13-4 | 95% | 5g |
$3065.0 | 2023-04-26 |
6-(Difluoromethyl)pyrimidine-4-carboxylic acid Related Literature
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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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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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
Additional information on 6-(Difluoromethyl)pyrimidine-4-carboxylic acid
Introduction to 6-(Difluoromethyl)pyrimidine-4-carboxylic acid (CAS No. 2090256-13-4)
6-(Difluoromethyl)pyrimidine-4-carboxylic acid, identified by the CAS number 2090256-13-4, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the pyrimidine class of heterocyclic aromatic compounds, which are widely recognized for their biological significance and pharmacological potential. The presence of a difluoromethyl group at the 6-position and a carboxylic acid moiety at the 4-position imparts unique chemical and electronic properties, making it a valuable scaffold for the development of novel therapeutic agents.
The structural features of 6-(Difluoromethyl)pyrimidine-4-carboxylic acid contribute to its versatility in synthetic chemistry. The difluoromethyl group is particularly noteworthy, as it is often employed in medicinal chemistry to enhance metabolic stability, improve binding affinity, and modulate pharmacokinetic profiles of drug candidates. This modification has been extensively studied in the context of antiviral, anticancer, and anti-inflammatory agents. The carboxylic acid functionality, on the other hand, provides a site for further derivatization, enabling the synthesis of more complex molecules with tailored biological activities.
In recent years, there has been a surge in research focused on developing small-molecule inhibitors targeting critical biological pathways involved in diseases such as cancer and infectious disorders. Pyrimidine derivatives have emerged as a prominent class of compounds due to their ability to interact with biomolecules like enzymes and receptors. Specifically, 6-(Difluoromethyl)pyrimidine-4-carboxylic acid has been explored as a precursor in the synthesis of kinase inhibitors, which play a crucial role in cancer therapy by inhibiting aberrant signaling pathways.
One of the most compelling aspects of 6-(Difluoromethyl)pyrimidine-4-carboxylic acid is its utility in generating libraries of compounds for high-throughput screening (HTS). Researchers have leveraged this scaffold to identify molecules with potent activity against various disease-causing targets. For instance, studies have demonstrated its application in designing inhibitors of Janus kinases (JAKs), which are implicated in autoimmune diseases and certain types of cancer. The difluoromethyl group's ability to engage with hydrophobic pockets in protein targets enhances the binding affinity of these inhibitors, leading to more effective therapeutic outcomes.
The pharmaceutical industry has also shown interest in 6-(Difluoromethyl)pyrimidine-4-carboxylic acid for its potential in developing antiviral agents. Pyrimidine-based compounds are known to mimic natural nucleobases, allowing them to interfere with viral replication processes. By incorporating structural elements such as the carboxylic acid group and the difluoromethyl moiety, chemists can fine-tune the properties of these molecules to optimize their antiviral activity. Recent advancements in computational chemistry have further accelerated the discovery process by enabling virtual screening and molecular docking studies tailored to this compound class.
From a synthetic perspective, 6-(Difluoromethyl)pyrimidine-4-carboxylic acid serves as a versatile building block for constructing more elaborate pyrimidine derivatives. The carboxylic acid functionality can be readily converted into esters, amides, or other derivatives through standard organic transformations, expanding its utility in drug discovery programs. Additionally, the presence of the difluoromethyl group allows for further functionalization via cross-coupling reactions or metal-catalyzed transformations, providing access to a wide array of pharmacologically relevant compounds.
The growing body of literature underscores the importance of 6-(Difluoromethyl)pyrimidine-4-carboxylic acid in modern medicinal chemistry. Researchers continue to explore its potential applications in areas such as immunotherapy and neurodegenerative diseases. The compound's ability to modulate biological pathways while maintaining favorable pharmacokinetic properties makes it an attractive candidate for further development. As computational methods and synthetic techniques advance, the accessibility of derivatives derived from this scaffold is expected to increase, paving the way for innovative therapeutic strategies.
In conclusion,6-(Difluoromethyl)pyrimidine-4-carboxylic acid (CAS No. 2090256-13-4) represents a significant advancement in pharmaceutical chemistry. Its unique structural features and synthetic versatility position it as a valuable tool for drug discovery efforts aimed at addressing unmet medical needs. The continued exploration of this compound and its derivatives holds promise for future breakthroughs in treating complex diseases.
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