Cas no 911462-21-0 (1H-Pyrazole-4-carboxylicacid, 3-(4-pyridinyl)-, ethyl ester)
1H-Pyrazole-4-carboxylicacid, 3-(4-pyridinyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carboxylicacid, 3-(4-pyridinyl)-, ethyl ester
- ethyl 3-pyridin-4-ylpyrazolidine-4-carboxylate
- ethyl 5-pyridin-4-yl-1H-pyrazole-4-carboxylate
- LH0019
- MFCD19706810
- 1H-Pyrazole-4-carboxylic acid, 3-(4-pyridinyl)-, ethyl ester
- 1H-Pyrazole-4-carboxylicacid,3-(4-pyridinyl)-,ethyl ester
- 911462-21-0
- Ethyl 5-(pyridin-4-yl)-1H-pyrazole-4-carboxylate
- AKOS030243016
- ETHYL 3-(PYRIDIN-4-YL)-1H-PYRAZOLE-4-CARBOXYLATE
- G74169
- Ethyl 5-(4-Pyridyl)-1H-pyrazole-4-carboxylate
- SY394586
- MFCD11865093
-
- MDL: MFCD19706810
- Inchi: 1S/C11H11N3O2/c1-2-16-11(15)9-7-13-14-10(9)8-3-5-12-6-4-8/h3-7H,2H2,1H3,(H,13,14)
- InChI Key: HDEPJTMJSWNRPC-UHFFFAOYSA-N
- SMILES: O(CC)C(C1C=NNC=1C1C=CN=CC=1)=O
Computed Properties
- Exact Mass: 217.085
- Monoisotopic Mass: 217.085
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 241
- 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: 67.9A^2
- XLogP3: 1
1H-Pyrazole-4-carboxylicacid, 3-(4-pyridinyl)-, ethyl ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB424220-1 g |
Ethyl 5-(pyridin-4-yl)-1H-pyrazole-4-carboxylate |
911462-21-0 | 1g |
€424.40 | 2022-03-02 | ||
| abcr | AB424220-5 g |
Ethyl 5-(pyridin-4-yl)-1H-pyrazole-4-carboxylate |
911462-21-0 | 5g |
€964.00 | 2022-03-02 | ||
| abcr | AB424220-1g |
Ethyl 5-(pyridin-4-yl)-1H-pyrazole-4-carboxylate; . |
911462-21-0 | 1g |
€694.20 | 2024-08-03 | ||
| abcr | AB424220-5g |
Ethyl 5-(pyridin-4-yl)-1H-pyrazole-4-carboxylate; . |
911462-21-0 | 5g |
€1390.00 | 2024-08-03 | ||
| Chemenu | CM332439-1g |
Ethyl 5-(pyridin-4-yl)-1h-pyrazole-4-carboxylate |
911462-21-0 | 95%+ | 1g |
$459 | 2024-07-20 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1197077-100mg |
Ethyl 5-(pyridin-4-yl)-1h-pyrazole-4-carboxylate |
911462-21-0 | 98% | 100mg |
¥1251.00 | 2024-04-25 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1197077-250mg |
Ethyl 5-(pyridin-4-yl)-1h-pyrazole-4-carboxylate |
911462-21-0 | 98% | 250mg |
¥1669.00 | 2024-04-25 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1197077-1g |
Ethyl 5-(pyridin-4-yl)-1h-pyrazole-4-carboxylate |
911462-21-0 | 98% | 1g |
¥3996.00 | 2024-04-25 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBSR124-100mg |
ethyl 3-(pyridin-4-yl)-1H-pyrazole-4-carboxylate |
911462-21-0 | 95% | 100mg |
¥878.0 | 2024-04-16 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBSR124-250mg |
ethyl 3-(pyridin-4-yl)-1H-pyrazole-4-carboxylate |
911462-21-0 | 95% | 250mg |
¥1469.0 | 2024-04-16 |
1H-Pyrazole-4-carboxylicacid, 3-(4-pyridinyl)-, ethyl ester Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
Additional information on 1H-Pyrazole-4-carboxylicacid, 3-(4-pyridinyl)-, ethyl ester
Introduction to 1H-Pyrazole-4-carboxylic acid, 3-(4-pyridinyl)-, ethyl ester (CAS No. 911462-21-0)
1H-Pyrazole-4-carboxylic acid, 3-(4-pyridinyl)-, ethyl ester, identified by the CAS number 911462-21-0, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and medicinal chemistry. This compound belongs to the pyrazole and pyridine chemical families, which are well-documented for their versatile biological activities and potential therapeutic applications. The structural features of this molecule, particularly the presence of a pyridinyl substituent at the 3-position and an ethyl ester group at the 4-carboxylic acid position, contribute to its unique chemical properties and biological interactions.
The synthesis of 1H-Pyrazole-4-carboxylic acid, 3-(4-pyridinyl)-, ethyl ester involves a series of well-established organic reactions, including condensation, esterification, and functional group transformations. The pyrazole core is a heterocyclic aromatic ring system that has been extensively studied for its role in drug discovery. Its ability to act as a scaffold for various pharmacophores makes it an attractive candidate for designing novel therapeutic agents. The introduction of a pyridinyl group at the 3-position enhances the compound's solubility and binding affinity to biological targets, while the ethyl ester moiety influences its metabolic stability and pharmacokinetic profile.
In recent years, there has been growing interest in exploring the pharmacological potential of 1H-Pyrazole-4-carboxylic acid, 3-(4-pyridinyl)-, ethyl ester and its derivatives. Research has demonstrated that compounds with similar structural motifs exhibit a wide range of biological activities, including anti-inflammatory, anticancer, and antimicrobial properties. The pyridinyl group is particularly noteworthy for its ability to interact with various enzymes and receptors, making it a valuable component in drug design. For instance, studies have shown that pyridine-based compounds can modulate signaling pathways involved in cell proliferation and apoptosis.
One of the most compelling aspects of 1H-Pyrazole-4-carboxylic acid, 3-(4-pyridinyl)-, ethyl ester is its potential as a lead compound for further derivatization. By modifying different functional groups or introducing additional substituents, researchers can fine-tune its biological activity to target specific diseases or conditions. This flexibility is crucial in drug discovery pipelines, where lead optimization is often required to achieve desired pharmacological effects. The ethyl ester group at the carboxylic acid position provides a handle for further chemical modifications, such as hydrolysis or amidation, which can alter the compound's solubility and bioavailability.
The biological activity of 1H-Pyrazole-4-carboxylic acid, 3-(4-pyridinyl)-, ethyl ester has been investigated in several preclinical studies. These studies have revealed that the compound exhibits inhibitory effects on certain enzymes and receptors associated with inflammatory responses and cancer progression. For example, preliminary data suggest that it may interfere with the activity of cyclooxygenase (COX) enzymes, which are key players in the production of pro-inflammatory mediators like prostaglandins. Additionally, its interaction with other targets such as kinases and transcription factors has been explored as potential therapeutic avenues.
The synthesis and characterization of 1H-Pyrazole-4-carboxylic acid, 3-(4-pyridinyl)-, ethyl ester have also contributed to advancements in synthetic methodologies. The development of efficient synthetic routes allows for scalable production and cost-effective access to this compound for further research. Modern techniques such as high-throughput screening (HTS) have been employed to identify new derivatives with enhanced biological activity. These approaches leverage computational modeling and automated synthesis platforms to accelerate the discovery process.
The role of computational chemistry in studying 1H-Pyrazole-4-carboxylic acid, 3-(4-pyridinyl)-, ethyl ester cannot be overstated. Molecular modeling techniques provide insights into how this compound interacts with biological targets at the atomic level. By predicting binding affinities and identifying key interaction sites, researchers can design more effective derivatives with improved pharmacological profiles. Furthermore, computational methods help in understanding metabolic pathways and potential drug-drug interactions, which are critical considerations in drug development.
The future prospects for 1H-Pyrazole-4-carboxylic acid, 3-(4-pyridinyl)-, ethyl ester are promising given its unique structural features and demonstrated biological activity. Ongoing research aims to explore its potential in treating various diseases by optimizing its chemical structure through medicinal chemistry approaches. Collaborative efforts between academic institutions and pharmaceutical companies are likely to yield novel derivatives with improved efficacy and safety profiles. As our understanding of disease mechanisms continues to evolve,this compound may find new applications in precision medicine.
In conclusion,1H-Pyrazole-4-carboxylic acid, 3-(4-pyridinyl)-, ethyl ester (CAS No. 911462-21-0) represents a significant advancement in pharmaceutical chemistry due to its versatile structure and promising biological activities。 Its synthesis, characterization,and ongoing research highlight its potential as a lead compound for developing new therapeutic agents。 As scientific exploration continues,this compound is poised to make substantial contributions to drug discovery efforts worldwide。
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