Cas no 31009-33-3 (4-Bromo-6-fluoro-2-(trifluoromethyl)quinoline)
4-Bromo-6-fluoro-2-(trifluoromethyl)quinoline Chemical and Physical Properties
Names and Identifiers
-
- 4-Bromo-6-fluoro-2-(trifluoromethyl)quinoline
- 4-Brom-6-fluor-2-trifluormethyl-chinolin
- 31009-33-3
- DTXSID40301346
- Quinoline, 4-bromo-6-fluoro-2-(trifluoromethyl)-
- NSC-142533
- AKOS015835387
- SB68810
- MFCD11504912
- JMZGVHLYCHYQEH-UHFFFAOYSA-N
- NSC142533
- 4-bromo-6-fluoro-2(trifluoromethyl)quinoline
- BS-22291
- CS-0450839
- A876048
- G74880
-
- MDL: MFCD11504912
- Inchi: 1S/C10H4BrF4N/c11-7-4-9(10(13,14)15)16-8-2-1-5(12)3-6(7)8/h1-4H
- InChI Key: JMZGVHLYCHYQEH-UHFFFAOYSA-N
- SMILES: BrC1C=C(C(F)(F)F)N=C2C=CC(=CC2=1)F
Computed Properties
- Exact Mass: 292.94600
- Monoisotopic Mass: 292.94632g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 258
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.9
- Topological Polar Surface Area: 12.9?2
Experimental Properties
- PSA: 12.89000
- LogP: 4.15520
4-Bromo-6-fluoro-2-(trifluoromethyl)quinoline Customs Data
- HS CODE:2933499090
- Customs Data:
China Customs Code:
2933499090Overview:
2933499090. Other compounds containing quinoline or isoquinoline ring system [but not further fused]. 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:
2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
4-Bromo-6-fluoro-2-(trifluoromethyl)quinoline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM143688-10g |
4-Bromo-6-fluoro-2-(trifluoromethyl)quinoline |
31009-33-3 | 95% | 10g |
$373 | 2021-08-05 | |
| abcr | AB272429-1 g |
4-Bromo-6-fluoro-2-(trifluoromethyl)quinoline, 98%; . |
31009-33-3 | 98% | 1g |
€178.00 | 2023-04-26 | |
| abcr | AB272429-5 g |
4-Bromo-6-fluoro-2-(trifluoromethyl)quinoline, 98%; . |
31009-33-3 | 98% | 5g |
€450.00 | 2023-04-26 | |
| abcr | AB272429-10 g |
4-Bromo-6-fluoro-2-(trifluoromethyl)quinoline, 98%; . |
31009-33-3 | 98% | 10g |
€756.00 | 2023-04-26 | |
| Chemenu | CM143688-5g |
4-Bromo-6-fluoro-2-(trifluoromethyl)quinoline |
31009-33-3 | 95% | 5g |
$231 | 2023-02-17 | |
| Fluorochem | 215902-1g |
4-Bromo-6-fluoro-2-(trifluoromethyl)quinoline |
31009-33-3 | 95% | 1g |
£100.00 | 2022-03-01 | |
| Fluorochem | 215902-5g |
4-Bromo-6-fluoro-2-(trifluoromethyl)quinoline |
31009-33-3 | 95% | 5g |
£300.00 | 2022-03-01 | |
| Fluorochem | 215902-10g |
4-Bromo-6-fluoro-2-(trifluoromethyl)quinoline |
31009-33-3 | 95% | 10g |
£525.00 | 2022-03-01 | |
| Alichem | A189007875-10g |
4-Bromo-6-fluoro-2-(trifluoromethyl)quinoline |
31009-33-3 | 95% | 10g |
$402.99 | 2023-09-02 | |
| TRC | B685798-100mg |
4-Bromo-6-fluoro-2-(trifluoromethyl)quinoline |
31009-33-3 | 100mg |
$ 64.00 | 2023-04-18 |
4-Bromo-6-fluoro-2-(trifluoromethyl)quinoline Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
Additional information on 4-Bromo-6-fluoro-2-(trifluoromethyl)quinoline
Professional Introduction to 4-Bromo-6-fluoro-2-(trifluoromethyl)quinoline (CAS No. 31009-33-3)
4-Bromo-6-fluoro-2-(trifluoromethyl)quinoline, with the CAS number 31009-33-3, is a significant compound in the field of pharmaceutical chemistry and medicinal biology. This heterocyclic aromatic molecule has garnered considerable attention due to its unique structural features and potential applications in drug discovery and development. The presence of multiple substituents, including a bromine atom, a fluorine atom, and a trifluoromethyl group, imparts distinct chemical properties that make it a valuable scaffold for designing novel therapeutic agents.
The compound belongs to the quinoline family, which is well-documented for its broad spectrum of biological activities. Quinolines and their derivatives have been extensively studied for their antimicrobial, antimalarial, anticancer, and anti-inflammatory properties. Among these derivatives, the specific arrangement of substituents in 4-Bromo-6-fluoro-2-(trifluoromethyl)quinoline contributes to its enhanced efficacy and selectivity in targeting various disease pathways.
In recent years, there has been a surge in research focused on developing novel quinoline-based compounds that exhibit improved pharmacokinetic profiles and reduced toxicity. The introduction of fluorine and trifluoromethyl groups into the quinoline core has been particularly effective in modulating metabolic stability and binding affinity to biological targets. For instance, the fluorine atom at the 6-position enhances the compound's lipophilicity, while the trifluoromethyl group at the 2-position improves its metabolic resistance.
One of the most compelling aspects of 4-Bromo-6-fluoro-2-(trifluoromethyl)quinoline is its potential application in oncology research. Quinoline derivatives have shown promise as inhibitors of kinases and other enzymes involved in cancer cell proliferation. The bromine substituent at the 4-position provides a handle for further chemical modifications, allowing researchers to fine-tune the compound's biological activity. Recent studies have demonstrated that this compound can selectively inhibit certain tyrosine kinases, which are overexpressed in various types of cancer.
The impact of these structural features on drug design is further highlighted by computational studies that have predicted favorable binding interactions between 4-Bromo-6-fluoro-2-(trifluoromethyl)quinoline and target proteins. These studies utilize advanced molecular modeling techniques to simulate the compound's interaction with enzymes and receptors at an atomic level. The results suggest that this compound can effectively disrupt key signaling pathways involved in cancer progression.
Another area where this compound shows promise is in the treatment of infectious diseases. Quinolines have a long history of use as antimalarial agents, and newer derivatives continue to be explored for their efficacy against drug-resistant strains of Plasmodium falciparum. The structural modifications in 4-Bromo-6-fluoro-2-(trifluoromethyl)quinoline enhance its ability to interfere with heme detoxification processes in malaria parasites, making it a potential candidate for novel antimalarial therapies.
The synthesis of 4-Bromo-6-fluoro-2-(trifluoromethyl)quinoline involves multi-step organic reactions that require careful optimization to ensure high yield and purity. Advanced synthetic methodologies, such as palladium-catalyzed cross-coupling reactions, have been employed to introduce the bromine and fluorine substituents efficiently. The trifluoromethyl group is typically introduced via metal-halogen exchange reactions or direct fluorination techniques.
The pharmacological evaluation of this compound has revealed several interesting properties. In vitro assays have shown that it exhibits potent inhibitory activity against a range of enzymatic targets relevant to cancer and inflammation. Additionally, preclinical studies in animal models have demonstrated its ability to induce apoptosis in tumor cells while minimizing toxicity to healthy tissues. These findings support further development of this compound as a lead candidate for new therapeutic agents.
The regulatory landscape for quinoline derivatives is also evolving, with increasing emphasis on safety and efficacy assessments before clinical translation. Regulatory agencies require comprehensive data on pharmacokinetics, toxicity, and immunogenicity before approving new drugs based on quinoline scaffolds. The unique structural features of 4-Bromo-6-fluoro-2-(trifluoromethyl)quinoline position it as an attractive candidate for meeting these stringent requirements.
In conclusion, 4-Bromo-6-fluoro-2-(trifluoromethyl)quinoline (CAS No. 31009-33-3) represents a significant advancement in pharmaceutical chemistry due to its multifaceted biological activities and structural versatility. Its potential applications in oncology and infectious disease treatment are supported by both experimental evidence and computational modeling. As research continues to uncover new therapeutic targets and mechanisms, compounds like this are poised to play a crucial role in next-generation drug development efforts.
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