Cas no 648898-18-4 (6-(4-Cyanophenyl)nicotinic acid)
6-(4-Cyanophenyl)nicotinic acid Chemical and Physical Properties
Names and Identifiers
-
- 6-(4-Cyanophenyl)nicotinic acid
- 3-Pyridinecarboxylic acid, 6-(4-cyanophenyl)-
- 6-(2-ACETYLAMINOPHENYL)-NICOTINIC ACID
- 6-(4-cyanophenyl)-3-pyridinecarboxylic acid
- 6-(4-cyanophenyl)pyridine-3-carboxylic acid
- 3-Pyridinecarboxylic acid,6-(4-cyanophenyl)
- SCHEMBL5937360
- DTXSID30687000
- 648898-18-4
- 6-(4-Cyanophenyl)nicotinicacid
- MFCD17677583
- A1-28730
- DB-341581
-
- MDL: MFCD17677583
- Inchi: 1S/C13H8N2O2/c14-7-9-1-3-10(4-2-9)12-6-5-11(8-15-12)13(16)17/h1-6,8H,(H,16,17)
- InChI Key: BTIDMWGKJCRQDZ-UHFFFAOYSA-N
- SMILES: OC(C1=CN=C(C=C1)C1C=CC(C#N)=CC=1)=O
Computed Properties
- Exact Mass: 256.08500
- Monoisotopic Mass: 224.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 326
- 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: 1.8
- Topological Polar Surface Area: 74?2
Experimental Properties
- PSA: 79.29000
- LogP: 2.47820
6-(4-Cyanophenyl)nicotinic 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%
6-(4-Cyanophenyl)nicotinic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019123232-1g |
6-(4-Cyanophenyl)nicotinic acid |
648898-18-4 | 95% | 1g |
$549.44 | 2023-09-01 | |
| Matrix Scientific | 217743-2.500g |
6-(4-Cyanophenyl)nicotinic acid, 95% |
648898-18-4 | 95% | 2.500g |
$1733.00 | 2023-09-09 | |
| Chemenu | CM177060-1g |
6-(4-cyanophenyl)nicotinic acid |
648898-18-4 | 95% | 1g |
$632 | 2021-08-05 | |
| A2B Chem LLC | AG76944-2.5g |
6-(4-Cyanophenyl)nicotinic acid |
648898-18-4 | 95% | 2.5g |
$1151.00 | 2024-04-19 | |
| Chemenu | CM177060-1g |
6-(4-cyanophenyl)nicotinic acid |
648898-18-4 | 95% | 1g |
$593 | 2022-06-10 | |
| Crysdot LLC | CD11079982-1g |
6-(4-Cyanophenyl)nicotinic acid |
648898-18-4 | 95+% | 1g |
$668 | 2024-07-18 | |
| A2B Chem LLC | AG76944-1g |
6-(4-Cyanophenyl)nicotinic acid |
648898-18-4 | 1g |
$363.00 | 2023-12-30 | ||
| A2B Chem LLC | AG76944-5g |
6-(4-Cyanophenyl)nicotinic acid |
648898-18-4 | 5g |
$1128.00 | 2023-12-30 | ||
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1651146-1g |
6-(4-Cyanophenyl)nicotinic acid |
648898-18-4 | 98% | 1g |
¥4569.00 | 2024-05-05 | |
| abcr | AB323245-5g |
6-(4-Cyanophenyl)nicotinic acid, 95%; . |
648898-18-4 | 95% | 5g |
€1159.00 | 2025-04-17 |
6-(4-Cyanophenyl)nicotinic acid Related Literature
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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
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
Additional information on 6-(4-Cyanophenyl)nicotinic acid
Introduction to 6-(4-Cyanophenyl)nicotinic Acid (CAS No: 648898-18-4)
6-(4-Cyanophenyl)nicotinic acid, identified by the chemical identifier CAS No 648898-18-4, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and agrochemical research. This compound belongs to the class of nicotinic acid derivatives, which are known for their diverse biological activities and potential therapeutic applications. The structural motif of 6-(4-cyanophenyl)nicotinic acid incorporates a cyanophenyl group, which introduces unique electronic and steric properties, making it a valuable scaffold for medicinal chemistry investigations.
The synthesis of 6-(4-cyanophenyl)nicotinic acid involves multi-step organic transformations, typically starting from readily available precursors such as 4-cyanobenzaldehyde and nicotinic acid. The introduction of the cyanophenyl moiety at the 6-position of the nicotinic acid core enhances the compound's interactions with biological targets, particularly enzymes and receptors involved in metabolic pathways. This modification has been strategically employed to modulate the pharmacokinetic and pharmacodynamic profiles of derivatives, aiming to improve drug efficacy and reduce side effects.
In recent years, 6-(4-cyanophenyl)nicotinic acid has been extensively studied for its potential role in addressing various therapeutic challenges. One of the most promising areas of research is its application in neurodegenerative diseases. Nicotinic acid derivatives are known to interact with nicotinic acetylcholine receptors (nAChRs), which are implicated in cognitive function, memory, and neuroprotection. The cyanophenyl group in 6-(4-cyanophenyl)nicotinic acid may enhance binding affinity and selectivity for specific nAChR subtypes, making it a candidate for developing novel therapeutics against conditions such as Alzheimer's disease and Parkinson's disease.
Furthermore, the compound has shown potential in combating metabolic disorders. Emerging research indicates that 6-(4-cyanophenyl)nicotinic acid can influence key enzymes involved in glucose metabolism and lipid synthesis. By modulating these pathways, the compound may offer benefits in managing type 2 diabetes and hyperlipidemia. Preclinical studies have demonstrated that derivatives of nicotinic acid exhibit improved insulin sensitivity and reduced triglyceride levels, suggesting a promising future for 6-(4-cyanophenyl)nicotinic acid as a lead compound for drug development.
The agrochemical sector has also recognized the significance of 6-(4-cyanophenyl)nicotinic acid due to its structural features that can be exploited for developing novel pesticides and herbicides. The cyanophenyl group contributes to enhanced stability and bioavailability, crucial factors for effective crop protection agents. Researchers are exploring its potential as a precursor for compounds that target specific enzymatic pathways in pests, offering an environmentally friendly alternative to conventional agrochemicals.
From a synthetic chemistry perspective, 6-(4-cyanophenyl)nicotinic acid serves as an excellent building block for constructing more complex molecules. Its versatile reactivity allows chemists to introduce additional functional groups or modify existing ones, leading to a wide array of derivatives with tailored properties. This flexibility is particularly valuable in drug discovery pipelines, where structural optimization is essential for achieving desired pharmacological outcomes.
The latest advancements in computational chemistry have further accelerated the exploration of 6-(4-cyanophenyl)nicotinic acid. Molecular modeling techniques have been employed to predict binding interactions with biological targets, providing insights into potential mechanisms of action. These simulations have helped researchers refine synthetic strategies and prioritize candidates for experimental validation. Additionally, high-throughput screening (HTS) methods have been utilized to assess the biological activity of various derivatives, streamlining the process of identifying promising leads.
In conclusion, 6-(4-cyanophenyl)nicotinic acid (CAS No: 648898-18-4) represents a compelling subject of study across multiple domains of chemical research. Its unique structural features and demonstrated biological activities position it as a key intermediate in pharmaceutical development, with potential applications ranging from neurodegenerative diseases to metabolic disorders and agrochemicals. As research continues to uncover new possibilities, this compound is poised to play an increasingly significant role in advancing scientific knowledge and innovation.
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