Cas no 1170923-24-6 (3-(methoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid)
3-(methoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 3-(methoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid
- 3-(methoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylicacid
- 1170923-24-6
- 3-methoxycarbonyl-1-methylpyrazole-4-carboxylic acid
- VWB92324
- CS-0241103
- EN300-231398
- 823-714-1
- AKOS005167630
- STK351784
- MFCD09473413
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- MDL: MFCD09473413
- Inchi: 1S/C7H8N2O4/c1-9-3-4(6(10)11)5(8-9)7(12)13-2/h3H,1-2H3,(H,10,11)
- InChI Key: VKKACJSFTZECGB-UHFFFAOYSA-N
- SMILES: O(C)C(C1C(C(=O)O)=CN(C)N=1)=O
Computed Properties
- Exact Mass: 184.04840674g/mol
- Monoisotopic Mass: 184.04840674g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 231
- 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: -0.1
- Topological Polar Surface Area: 81.4?2
3-(methoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylic 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)
3-(methoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB500956-100 mg |
3-(Methoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid |
1170923-24-6 | 100MG |
€253.70 | 2022-03-01 | ||
| abcr | AB500956-250 mg |
3-(Methoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid |
1170923-24-6 | 250MG |
€343.00 | 2022-03-01 | ||
| abcr | AB500956-500 mg |
3-(Methoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid |
1170923-24-6 | 500MG |
€475.60 | 2022-03-01 | ||
| abcr | AB500956-1 g |
3-(Methoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid |
1170923-24-6 | 1g |
€609.00 | 2022-03-01 | ||
| Enamine | EN300-231398-0.05g |
3-(methoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid |
1170923-24-6 | 95% | 0.05g |
$164.0 | 2024-06-20 | |
| Enamine | EN300-231398-0.1g |
3-(methoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid |
1170923-24-6 | 95% | 0.1g |
$245.0 | 2024-06-20 | |
| Enamine | EN300-231398-0.25g |
3-(methoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid |
1170923-24-6 | 95% | 0.25g |
$349.0 | 2024-06-20 | |
| Enamine | EN300-231398-0.5g |
3-(methoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid |
1170923-24-6 | 95% | 0.5g |
$549.0 | 2024-06-20 | |
| Enamine | EN300-231398-1.0g |
3-(methoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid |
1170923-24-6 | 95% | 1.0g |
$705.0 | 2024-06-20 | |
| Enamine | EN300-231398-2.5g |
3-(methoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid |
1170923-24-6 | 95% | 2.5g |
$1233.0 | 2024-06-20 |
3-(methoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
Additional information on 3-(methoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid
Introduction to 3-(methoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid (CAS No. 1170923-24-6)
3-(methoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid, identified by its Chemical Abstracts Service number CAS No. 1170923-24-6, is a significant compound in the field of pharmaceutical chemistry and bioorganic synthesis. This heterocyclic carboxylic acid derivative has garnered attention due to its versatile structural framework, which makes it a valuable intermediate in the development of various pharmacologically active molecules. The compound features a pyrazole core, which is a prominent scaffold in medicinal chemistry, often incorporated into drugs due to its ability to modulate biological pathways effectively.
The structure of 3-(methoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid consists of a pyrazole ring substituted with a methoxycarbonyl group at the 3-position and a methyl group at the 1-position, along with a carboxylic acid moiety at the 4-position. This specific arrangement imparts unique reactivity and functionality, making it a useful building block for further chemical transformations. The presence of both electron-withdrawing and electron-donating groups on the pyrazole ring enhances its utility in synthetic protocols, allowing for diverse modifications that can tailor its biological activity.
In recent years, there has been a surge in research focusing on pyrazole derivatives due to their broad spectrum of biological activities. These derivatives have been explored for their potential in treating various diseases, including inflammation, cancer, and infectious disorders. The pharmacological significance of 3-(methoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid lies in its ability to serve as a precursor for synthesizing more complex molecules with enhanced therapeutic properties. Its incorporation into drug candidates has been associated with improved solubility, bioavailability, and target specificity.
One of the most compelling aspects of this compound is its role in drug discovery and development. The pyrazole core is known for its ability to interact with biological targets such as enzymes and receptors, often leading to potent inhibitory effects. Researchers have leveraged the structural flexibility of 3-(methoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid to design molecules that can modulate pathways involved in disease progression. For instance, studies have demonstrated its utility in developing inhibitors targeting enzymes such as kinases and cyclooxygenases, which are implicated in inflammatory responses and tumor growth.
The synthetic applications of 3-(methoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid are equally noteworthy. Its synthesis involves multi-step organic transformations that highlight the ingenuity of modern synthetic chemistry. The compound can be prepared through various routes, including condensation reactions, cyclization processes, and functional group interconversions. These synthetic methodologies not only provide access to the pure compound but also offer insights into strategies that can be applied to other heterocyclic systems. The efficiency and scalability of these synthetic protocols are crucial for industrial applications where large quantities of intermediates are required.
Recent advancements in computational chemistry have further enhanced the understanding of how 3-(methoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid behaves in biological systems. Molecular modeling techniques have been employed to predict how this compound interacts with target proteins, providing valuable insights into its mechanism of action. These computational studies complement experimental approaches by allowing researchers to visualize potential binding modes and optimize drug-like properties before conducting costly wet-lab experiments. This integration of computational and experimental methods has accelerated the pace of drug discovery significantly.
The biological activity of derivatives stemming from 3-(methoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid has been extensively studied in preclinical models. Researchers have observed promising results in terms of anti-inflammatory, antiviral, and anticancer effects. For example, certain analogs have shown efficacy in reducing inflammation by inhibiting key pro-inflammatory cytokines. Similarly, derivatives with modified side chains have demonstrated antiviral properties by interfering with viral replication mechanisms. These findings underscore the potential of this scaffold as a foundation for developing novel therapeutics.
The regulatory considerations associated with compounds like 3-(methoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid are also important from a pharmaceutical perspective. Ensuring compliance with safety and quality standards is essential for any compound intended for therapeutic use. Manufacturers must adhere to Good Manufacturing Practices (GMP) and conduct rigorous testing to validate the purity and stability of their products. Additionally, any new drug candidates derived from this compound will need to undergo thorough clinical trials to assess their safety and efficacy before they can be approved for human use.
In conclusion,3-(methoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid (CAS No. 1170923-24-6) represents a fascinating compound with significant potential in pharmaceutical research and development. Its unique structural features make it a valuable intermediate for synthesizing biologically active molecules, while recent research highlights its role in addressing various therapeutic challenges. As our understanding of molecular interactions continues to evolve,this compound will likely remain at the forefront of drug discovery efforts aimed at improving human health.
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