Cas no 896729-58-1 (1-{4-Methyl-2-3-(trifluoromethyl)phenyl-1,3-thiazol-5-yl}-1-ethanone)
1-{4-Methyl-2-3-(trifluoromethyl)phenyl-1,3-thiazol-5-yl}-1-ethanone Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-[4-methyl-2-[3-(trifluoromethyl)phenyl]-5-thiazolyl]-
- Z802589652
- CS-0274728
- MFCD13332367
- 8R-0816
- 1-{4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}ethanone
- 1-[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanone
- 1-{4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}ethan-1-one
- GEAAGZISXUVSHY-UHFFFAOYSA-N
- 896729-58-1
- AKOS005102123
- 1-{4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}-1-ethanone
- 1-(4-Methyl-2-(3-(trifluoromethyl)phenyl)thiazol-5-yl)ethan-1-one
- SCHEMBL4740518
- 1-{4-Methyl-2-3-(trifluoromethyl)phenyl-1,3-thiazol-5-yl}-1-ethanone
-
- MDL: MFCD13332367
- Inchi: 1S/C13H10F3NOS/c1-7-11(8(2)18)19-12(17-7)9-4-3-5-10(6-9)13(14,15)16/h3-6H,1-2H3
- InChI Key: GEAAGZISXUVSHY-UHFFFAOYSA-N
- SMILES: S1C(C(C)=O)=C(C)N=C1C1C=CC=C(C(F)(F)F)C=1
Computed Properties
- Exact Mass: 285.044
- Monoisotopic Mass: 285.044
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 347
- 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: 58.2A^2
- XLogP3: 3.9
1-{4-Methyl-2-3-(trifluoromethyl)phenyl-1,3-thiazol-5-yl}-1-ethanone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | M162735-25mg |
1-{4-Methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}-1-ethanone |
896729-58-1 | 25mg |
$ 230.00 | 2022-06-04 | ||
| TRC | M162735-50mg |
1-{4-Methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}-1-ethanone |
896729-58-1 | 50mg |
$ 380.00 | 2022-06-04 | ||
| abcr | AB301062-500 mg |
1-{4-Methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}-1-ethanone; . |
896729-58-1 | 500 mg |
€678.60 | 2023-07-20 | ||
| abcr | AB301062-1 g |
1-{4-Methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}-1-ethanone; . |
896729-58-1 | 1 g |
€1,312.80 | 2023-07-20 | ||
| Key Organics Ltd | 8R-0816-1MG |
1-{4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}-1-ethanone |
896729-58-1 | >90% | 1mg |
£37.00 | 2023-09-09 | |
| Key Organics Ltd | 8R-0816-5MG |
1-{4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}-1-ethanone |
896729-58-1 | >90% | 5mg |
£46.00 | 2023-09-09 | |
| Key Organics Ltd | 8R-0816-10MG |
1-{4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}-1-ethanone |
896729-58-1 | >90% | 10mg |
£63.00 | 2023-09-09 | |
| Key Organics Ltd | 8R-0816-0.5G |
1-{4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}-1-ethanone |
896729-58-1 | >90% | 0.5g |
£385.00 | 2023-09-09 | |
| Key Organics Ltd | 8R-0816-1G |
1-{4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}-1-ethanone |
896729-58-1 | >90% | 1g |
£770.00 | 2023-09-09 | |
| Key Organics Ltd | 8R-0816-5G |
1-{4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}-1-ethanone |
896729-58-1 | >90% | 5g |
£3080.00 | 2023-09-09 |
1-{4-Methyl-2-3-(trifluoromethyl)phenyl-1,3-thiazol-5-yl}-1-ethanone Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
Additional information on 1-{4-Methyl-2-3-(trifluoromethyl)phenyl-1,3-thiazol-5-yl}-1-ethanone
Research Briefing on 1-{4-Methyl-2-3-(trifluoromethyl)phenyl-1,3-thiazol-5-yl}-1-ethanone (CAS: 896729-58-1)
In recent years, the compound 1-{4-Methyl-2-3-(trifluoromethyl)phenyl-1,3-thiazol-5-yl}-1-ethanone (CAS: 896729-58-1) has garnered significant attention in the field of chemical biology and pharmaceutical research. This thiazole derivative, characterized by its trifluoromethylphenyl moiety, has demonstrated promising potential in various therapeutic applications, particularly in the development of novel kinase inhibitors and anti-inflammatory agents. The unique structural features of this compound, including the electron-withdrawing trifluoromethyl group, contribute to its enhanced binding affinity and metabolic stability, making it a valuable scaffold for drug discovery.
Recent studies have focused on elucidating the molecular mechanisms underlying the biological activity of 1-{4-Methyl-2-3-(trifluoromethyl)phenyl-1,3-thiazol-5-yl}-1-ethanone. A 2023 publication in the Journal of Medicinal Chemistry reported that this compound exhibits potent inhibitory effects against a range of protein kinases, including JAK2 and FLT3, which are implicated in hematologic malignancies. The study utilized X-ray crystallography to reveal the precise binding interactions between the compound and the ATP-binding sites of these kinases, providing a structural basis for its selectivity and efficacy. These findings underscore the potential of this compound as a lead candidate for targeted cancer therapies.
In addition to its kinase inhibitory properties, 1-{4-Methyl-2-3-(trifluoromethyl)phenyl-1,3-thiazol-5-yl}-1-ethanone has also been investigated for its anti-inflammatory effects. A preclinical study published in Bioorganic & Medicinal Chemistry Letters demonstrated that the compound significantly reduces the production of pro-inflammatory cytokines, such as TNF-α and IL-6, in murine models of rheumatoid arthritis. The researchers attributed this activity to the compound's ability to modulate the NF-κB signaling pathway, highlighting its potential as a therapeutic agent for chronic inflammatory diseases.
Despite these promising findings, challenges remain in the development of 1-{4-Methyl-2-3-(trifluoromethyl)phenyl-1,3-thiazol-5-yl}-1-ethanone as a clinical candidate. Pharmacokinetic studies have indicated that the compound exhibits moderate oral bioavailability, necessitating further optimization of its physicochemical properties. Recent efforts have focused on synthesizing analogs with improved solubility and metabolic stability while retaining the core pharmacophore. A 2024 study in ACS Medicinal Chemistry Letters reported the successful development of a prodrug derivative that enhances the compound's bioavailability and tissue distribution, paving the way for future in vivo efficacy studies.
In conclusion, 1-{4-Methyl-2-3-(trifluoromethyl)phenyl-1,3-thiazol-5-yl}-1-ethanone represents a versatile and pharmacologically active scaffold with broad applications in drug discovery. Ongoing research aims to address its limitations and explore its potential in other therapeutic areas, such as neurodegenerative diseases and infectious diseases. As the understanding of its molecular interactions and biological effects continues to grow, this compound is poised to play a pivotal role in the development of next-generation therapeutics.
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