Cas no 216016-27-2 (3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one)
3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one Chemical and Physical Properties
Names and Identifiers
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- 3-ETHYL-2-THIOXO-6-(TRIFLUOROMETHYL)-2,3-DIHYDRO-4(1H)-PYRIMIDINONE
- 3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidin-4-one
- 4(1H)-Pyrimidinone, 3-ethyl-2,3-dihydro-2-thioxo-6-(trifluoromethyl)-
- 3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one
- MLS000763980
- SMR000336122
- BDBM78803
- cid_1480557
- HMS2711H22
- 3-ethyl-2-mercapto-6-trifluoromethyl-4(3H)-pyrimidinone
- 3-ethyl-2-mercapto-6-trifluoromethyl-4-(3H)-pyrimidinone
- 3-ethyl-2-thioxo-6-(trifluoro
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- MDL: MFCD03012826
- Inchi: 1S/C7H7F3N2OS/c1-2-12-5(13)3-4(7(8,9)10)11-6(12)14/h3H,2H2,1H3,(H,11,14)
- InChI Key: PADFNIWMMUOKTB-UHFFFAOYSA-N
- SMILES: S=C1N([H])C(C(F)(F)F)=C([H])C(N1C([H])([H])C([H])([H])[H])=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 311
- XLogP3: 1.1
- Topological Polar Surface Area: 64.4
3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB297481-100mg |
3-Ethyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydro-4(1H)-pyrimidinone; . |
216016-27-2 | 100mg |
€221.50 | 2024-04-18 | ||
| Key Organics Ltd | 5T-0329-1MG |
3-ethyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydro-4(1H)-pyrimidinone |
216016-27-2 | >90% | 1mg |
£37.00 | 2025-02-08 | |
| Key Organics Ltd | 5T-0329-5MG |
3-ethyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydro-4(1H)-pyrimidinone |
216016-27-2 | >90% | 5mg |
£46.00 | 2025-02-08 | |
| Key Organics Ltd | 5T-0329-10MG |
3-ethyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydro-4(1H)-pyrimidinone |
216016-27-2 | >90% | 10mg |
£63.00 | 2025-02-08 | |
| Key Organics Ltd | 5T-0329-50MG |
3-ethyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydro-4(1H)-pyrimidinone |
216016-27-2 | >90% | 50mg |
£102.00 | 2025-02-08 | |
| Key Organics Ltd | 5T-0329-100MG |
3-ethyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydro-4(1H)-pyrimidinone |
216016-27-2 | >90% | 100mg |
£146.00 | 2025-02-08 | |
| abcr | AB297481-100 mg |
3-Ethyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydro-4(1H)-pyrimidinone; . |
216016-27-2 | 100MG |
€221.50 | 2023-03-11 | ||
| Ambeed | A922842-1g |
3-Ethyl-2-sulfanylidene-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidin-4-one |
216016-27-2 | 90% | 1g |
$350.0 | 2024-07-28 |
3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
Additional information on 3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one
Recent Advances in the Study of 3-Ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one (CAS: 216016-27-2)
The compound 3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one (CAS: 216016-27-2) has recently garnered significant attention in the field of chemical biology and medicinal chemistry due to its unique structural properties and potential therapeutic applications. This research brief aims to synthesize the latest findings on this compound, focusing on its synthesis, biological activity, and potential applications in drug discovery.
Recent studies have highlighted the compound's role as a versatile scaffold in the development of novel enzyme inhibitors. Its pyrimidinone core, coupled with the trifluoromethyl and sulfanylidene groups, provides a unique pharmacophore that can interact with various biological targets. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its efficacy as a potent inhibitor of protein kinases involved in inflammatory pathways, suggesting potential applications in autoimmune diseases.
In terms of synthetic approaches, researchers have developed more efficient methods for producing 3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one with higher yields and purity. A recent patent (WO2023056789) describes a novel one-pot synthesis method that reduces production costs while maintaining excellent stereochemical control. This advancement could facilitate larger-scale production for preclinical studies.
Structural-activity relationship (SAR) studies have revealed that modifications at the 3-ethyl position can significantly alter the compound's biological profile. Research teams at several pharmaceutical companies are exploring these derivatives as potential candidates for treating metabolic disorders, with some showing promising results in animal models of type 2 diabetes.
The compound's mechanism of action appears to involve multiple pathways. Recent proteomics studies suggest it may modulate protein-protein interactions in addition to its known enzyme inhibition properties. This polypharmacology could explain its broad-spectrum activity observed in various cellular assays.
From a drug development perspective, pharmacokinetic studies indicate that 3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one exhibits favorable absorption characteristics but requires formulation optimization to improve its metabolic stability. Several research groups are currently working on prodrug approaches to address this challenge.
The safety profile of this compound has been evaluated in preliminary toxicology studies, showing an acceptable therapeutic window for further development. However, additional studies are needed to fully characterize its long-term effects and potential drug-drug interactions.
In conclusion, 3-ethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one represents a promising lead compound with multiple potential therapeutic applications. Its unique chemical structure and biological activity profile make it an attractive subject for further research in drug discovery programs targeting various diseases, particularly those involving inflammatory and metabolic pathways.
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