Cas no 241469-90-9 (2-(Methylthio)furo[3,4-d]pyrimidine-5,7-dione)
2-(Methylthio)furo[3,4-d]pyrimidine-5,7-dione Chemical and Physical Properties
Names and Identifiers
-
- 2-(Methylthio)furo[3,4-d]pyrimidine-5,7-dione
- 2-methylsulfanylfuro[3,4-d]pyrimidine-5,7-dione
- 2-(Methylsulfanyl)furo[3,4-d]pyrimidine-5,7-dione
- furo[3,4-d]pyrimidine-5,7-dione, 2-(methylthio)-
- LogP
- DB-329464
- 241469-90-9
- DTXSID00743682
-
- Inchi: 1S/C7H4N2O3S/c1-13-7-8-2-3-4(9-7)6(11)12-5(3)10/h2H,1H3
- InChI Key: DDSMWATWMMCJKC-UHFFFAOYSA-N
- SMILES: S(C)C1N=CC2C(=O)OC(C=2N=1)=O
Computed Properties
- Exact Mass: 195.99432
- Monoisotopic Mass: 195.99426317g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- 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
- XLogP3: 0.8
- Topological Polar Surface Area: 94.4?2
Experimental Properties
- PSA: 69.15
2-(Methylthio)furo[3,4-d]pyrimidine-5,7-dione Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1731205-1g |
2-(Methylthio)furo[3,4-d]pyrimidine-5,7-dione |
241469-90-9 | 98% | 1g |
¥3427.00 | 2023-11-21 | |
| Chemenu | CM165156-1g |
2-(methylthio)furo[3,4-d]pyrimidine-5,7-dione |
241469-90-9 | 95% | 1g |
$*** | 2023-03-30 |
2-(Methylthio)furo[3,4-d]pyrimidine-5,7-dione Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
Additional information on 2-(Methylthio)furo[3,4-d]pyrimidine-5,7-dione
Introduction to 2-(Methylthio)furo[3,4-d]pyrimidine-5,7-dione (CAS No. 241469-90-9)
2-(Methylthio)furo[3,4-d]pyrimidine-5,7-dione, identified by its Chemical Abstracts Service (CAS) number 241469-90-9, is a heterocyclic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal biology. This compound belongs to the furo[3,4-d]pyrimidine scaffold, which is a privileged structure known for its biological activity and potential therapeutic applications. The presence of a methylthio substituent and the dione functionality in its molecular framework imparts unique chemical and pharmacological properties, making it a promising candidate for further exploration in drug discovery.
The furo[3,4-d]pyrimidine core is a fused bicyclic system consisting of a furan ring and a pyrimidine ring. This structural motif has been extensively studied due to its ability to interact with various biological targets, including enzymes and receptors. The 5,7-dione moiety further enhances the compound's reactivity and potential for biological activity. Such structural features are often exploited in the design of novel pharmaceutical agents targeting diseases such as cancer, inflammation, and infectious disorders.
In recent years, there has been a surge in research focused on developing small-molecule inhibitors that modulate key biological pathways involved in disease progression. The 2-(Methylthio)furo[3,4-d]pyrimidine-5,7-dione scaffold has emerged as a versatile platform for designing molecules with therapeutic potential. For instance, studies have demonstrated that derivatives of this compound can exhibit inhibitory effects on enzymes such as kinases and cyclases, which are crucial in cellular signaling pathways.
One of the most compelling aspects of 2-(Methylthio)furo[3,4-d]pyrimidine-5,7-dione is its potential as a lead compound for drug development. Researchers have leveraged computational methods and high-throughput screening to identify analogs with enhanced potency and selectivity. These efforts have led to the discovery of several promising candidates that are currently undergoing preclinical evaluation. The methylthio group, in particular, has been shown to play a critical role in modulating the binding affinity and pharmacokinetic properties of the compound.
The dione functionality in the molecule contributes to its reactivity, allowing for further chemical modifications that can fine-tune its biological activity. This versatility makes 2-(Methylthio)furo[3,4-d]pyrimidine-5,7-dione an attractive scaffold for medicinal chemists seeking to develop novel therapeutics. By incorporating different substituents at various positions within the core structure, researchers can generate libraries of compounds with diverse pharmacological profiles.
Recent advancements in synthetic chemistry have enabled the efficient preparation of complex derivatives of 2-(Methylthio)furo[3,4-d]pyrimidine-5,7-dione. Techniques such as transition-metal-catalyzed cross-coupling reactions and palladium-mediated transformations have been particularly useful in constructing the desired molecular architectures. These synthetic strategies have not only facilitated the discovery of new analogs but also provided insights into the structural requirements for optimal biological activity.
The pharmacological evaluation of 2-(Methylthio)furo[3,4-d]pyrimidine-5,7-dione has revealed several interesting findings. In vitro studies have shown that this compound can inhibit the activity of target enzymes with high selectivity, suggesting its potential as a therapeutic agent. Additionally, preliminary in vivo studies indicate that it exhibits favorable pharmacokinetic properties when administered orally or intravenously. These results are encouraging and warrant further investigation into its clinical applicability.
One area of particular interest is the use of 2-(Methylthio)furo[3,4-d]pyrimidine-5,7-dione as an anti-cancer agent. Cancer cells often rely on dysregulated signaling pathways for proliferation and survival. By inhibiting key enzymes involved in these pathways, compounds like this one can exert anti-tumor effects. Preclinical studies have demonstrated that derivatives of this scaffold can induce apoptosis in cancer cell lines while sparing healthy cells. This selective toxicity makes it an attractive candidate for further development.
The development of novel antibiotics is another critical area where 2-(Methylthio)furo[3,4-d]pyrimidine-5,7-dione shows promise. Antibiotic resistance is a growing global health concern, necessitating the discovery of new classes of antibiotics with unique mechanisms of action. The structural features of this compound make it a suitable candidate for designing molecules that can disrupt bacterial cell wall synthesis or interfere with essential metabolic processes.
Furthermore, the furo[3,4-d]pyrimidine scaffold has been explored for its potential in treating inflammatory diseases such as rheumatoid arthritis and inflammatory bowel disease. Inflammatory processes are often mediated by excessive production of pro-inflammatory cytokines and chemokines. By modulating these pathways, compounds like 2-(Methylthio)furo[3,4-d]pyrimidine-5,7-dione could provide relief to patients suffering from chronic inflammatory conditions.
The future prospects for 2-(Methylthio)furo[3,4-d]pyrimidine-5,7-dione are promising given its diverse biological activities and synthetic accessibility. Continued research efforts are needed to optimize its potency、selectivity、and pharmacokinetic properties。 Collaborative efforts between academic institutions、pharmaceutical companies、and biotechnology firms will be essential in translating these findings into clinical applications.
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