Cas no 1283719-79-8 (6-Bromo-2-chloro-4-(trifluoromethyl)quinoline)
6-Bromo-2-chloro-4-(trifluoromethyl)quinoline Chemical and Physical Properties
Names and Identifiers
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- 6-Bromo-2-chloro-4-(trifluoromethyl)quinoline
- DTXSID50856115
- 1283719-79-8
- SB72855
- SCHEMBL20392596
- XMPKCJUBCOOCAX-UHFFFAOYSA-N
- DB-369068
- AKOS016014949
-
- MDL: MFCD16250445
- Inchi: 1S/C10H4BrClF3N/c11-5-1-2-8-6(3-5)7(10(13,14)15)4-9(12)16-8/h1-4H
- InChI Key: XMPKCJUBCOOCAX-UHFFFAOYSA-N
- SMILES: BrC1C=CC2C(C=1)=C(C(F)(F)F)C=C(N=2)Cl
Computed Properties
- Exact Mass: 308.91677g/mol
- Monoisotopic Mass: 308.91677g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 261
- 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: 4.7
- Topological Polar Surface Area: 12.9?2
6-Bromo-2-chloro-4-(trifluoromethyl)quinoline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A189005593-1g |
6-Bromo-2-chloro-4-(trifluoromethyl)quinoline |
1283719-79-8 | 95% | 1g |
628.00 USD | 2021-06-01 | |
| TRC | B202180-50mg |
6-Bromo-2-chloro-4-(trifluoromethyl)quinoline |
1283719-79-8 | 50mg |
$ 410.00 | 2022-06-07 | ||
| TRC | B202180-100mg |
6-Bromo-2-chloro-4-(trifluoromethyl)quinoline |
1283719-79-8 | 100mg |
$ 680.00 | 2022-06-07 | ||
| TRC | B202180-250mg |
6-Bromo-2-chloro-4-(trifluoromethyl)quinoline |
1283719-79-8 | 250mg |
$ 1355.00 | 2022-06-07 | ||
| Chemenu | CM142927-1g |
6-Bromo-2-chloro-4-(trifluoromethyl)quinoline |
1283719-79-8 | 95% | 1g |
$729 | 2021-08-05 | |
| Chemenu | CM142927-1g |
6-Bromo-2-chloro-4-(trifluoromethyl)quinoline |
1283719-79-8 | 95% | 1g |
$628 | 2024-08-02 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1647913-1g |
6-Bromo-2-chloro-4-(trifluoromethyl)quinoline |
1283719-79-8 | 98% | 1g |
¥5714.00 | 2024-08-09 |
6-Bromo-2-chloro-4-(trifluoromethyl)quinoline Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
Additional information on 6-Bromo-2-chloro-4-(trifluoromethyl)quinoline
Introduction to 6-Bromo-2-chloro-4-(trifluoromethyl)quinoline (CAS No. 1283719-79-8)
6-Bromo-2-chloro-4-(trifluoromethyl)quinoline, identified by its Chemical Abstracts Service (CAS) number 1283719-79-8, is a heterocyclic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the quinoline family, a class of nitrogen-containing aromatic organic compounds known for their broad spectrum of biological activities. The structural features of 6-Bromo-2-chloro-4-(trifluoromethyl)quinoline, including the presence of bromine, chlorine, and trifluoromethyl substituents, contribute to its unique chemical properties and potential applications in drug discovery.
The quinoline scaffold has a long history in medicinal chemistry, with numerous derivatives exhibiting antimicrobial, antimalarial, anti-inflammatory, and anticancer properties. The introduction of halogen atoms and fluorine-containing groups into the quinoline core can modulate the pharmacokinetic and pharmacodynamic profiles of these compounds, enhancing their binding affinity to biological targets. In particular, the trifluoromethyl group is a well-known pharmacophore that can improve metabolic stability, lipophilicity, and binding interactions with enzymes and receptors.
Recent advancements in computational chemistry and structure-based drug design have enabled researchers to predict the biological activity of 6-Bromo-2-chloro-4-(trifluoromethyl)quinoline with greater precision. Studies suggest that this compound may interact with various protein targets, including kinases and transcription factors, which are implicated in cancer progression and inflammatory diseases. The bromine and chlorine substituents further enhance its potential as a lead compound for further derivatization, allowing for the optimization of potency and selectivity.
One of the most compelling aspects of 6-Bromo-2-chloro-4-(trifluoromethyl)quinoline is its versatility in synthetic chemistry. The presence of multiple reactive sites allows for diverse functionalization strategies, enabling the creation of libraries of analogs for high-throughput screening. Researchers have employed modern synthetic methodologies, such as transition-metal-catalyzed cross-coupling reactions, to construct complex derivatives efficiently. These approaches have led to the identification of novel scaffolds with improved pharmacological properties.
The pharmaceutical industry has increasingly recognized the importance of fluorinated quinolines in developing next-generation therapeutics. The trifluoromethyl group, in particular, has been shown to enhance the bioavailability and efficacy of small molecule drugs. For instance, fluoroquinolones, a subclass of quinolines with a fluorine atom at the C-6 position, have become cornerstone antibiotics due to their potent antibacterial activity. The structural motif of 6-Bromo-2-chloro-4-(trifluoromethyl)quinoline aligns with this trend, making it a promising candidate for further exploration.
In vitro studies have begun to elucidate the mechanism of action of 6-Bromo-2-chloro-4-(trifluoromethyl)quinoline, revealing its potential as an inhibitor of specific enzymatic pathways. Preliminary data indicate that it may disrupt signaling cascades involved in cell proliferation and survival, making it a candidate for anticancer therapy. Additionally, its interaction with mitochondrial DNA polymerase has been explored as a possible mechanism for its antimicrobial effects. These findings underscore the compound's therapeutic relevance.
The synthesis and characterization of 6-Bromo-2-chloro-4-(trifluoromethyl)quinoline have been refined through continuous improvements in synthetic techniques. Advanced spectroscopic methods, such as nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS), have been employed to confirm the structural integrity of the compound. These analytical tools provide critical insights into its conformational dynamics and reactivity patterns.
The development of novel drug candidates often involves interdisciplinary collaboration between chemists, biologists, and pharmacologists. The case of 6-Bromo-2-chloro-4-(trifluoromethyl)quinoline exemplifies this synergy, as researchers from different fields contribute their expertise to maximize its potential as a therapeutic agent. Computational modeling plays a pivotal role in predicting how modifications to its structure will affect its biological activity.
The future prospects for 6-Bromo-2-chloro-4-(trifluoromethyl)quinoline are promising, with ongoing research focused on expanding its chemical space through combinatorial chemistry and library synthesis. By integrating machine learning algorithms into drug discovery pipelines, researchers can accelerate the identification of lead compounds like this one. Such innovations are transforming how new drugs are developed from academic research to clinical applications.
In conclusion,6-Bromo-2-chloro-4-(trifluoromethyl)quinoline represents a significant advancement in quinoline-based pharmaceuticals due to its unique structural features and potential biological activities. Its halogenated and fluorinated substituents make it an attractive scaffold for further medicinal chemistry investigations aimed at developing novel therapeutics for various diseases.
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