Cas no 27430-18-8 (5-(furan-2-yl)methylidene-2-sulfanylidene-1,3-diazinane-4,6-dione)

5-(Furan-2-yl)methylidene-2-sulfanylidene-1,3-diazinane-4,6-dione is a heterocyclic compound featuring a fused furan and dithiouracil scaffold. Its unique structure, incorporating both sulfur and nitrogen heteroatoms, lends it potential utility in medicinal chemistry and materials science. The presence of a reactive thione group (-C=S) enhances its ability to participate in nucleophilic substitution and coordination chemistry, making it a versatile intermediate for synthesizing pharmacologically active derivatives or metal complexes. The furan moiety further contributes to its electron-rich character, facilitating applications in organic synthesis. This compound’s structural features suggest possible bioactivity, particularly in antimicrobial or antitumor research, though further studies are required to confirm specific applications.
5-(furan-2-yl)methylidene-2-sulfanylidene-1,3-diazinane-4,6-dione structure
27430-18-8 structure
Product Name:5-(furan-2-yl)methylidene-2-sulfanylidene-1,3-diazinane-4,6-dione
CAS No:27430-18-8
MF:C9H6N2O3S
MW:222.220540523529
MDL:MFCD00020968
CID:290831
PubChem ID:676561
Update Time:2025-10-05

5-(furan-2-yl)methylidene-2-sulfanylidene-1,3-diazinane-4,6-dione Chemical and Physical Properties

Names and Identifiers

    • 4,6(1H,5H)-Pyrimidinedione,5-(2-furanylmethylene)dihydro-2-thioxo-
    • 5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
    • 5-(2-furanylmethylene)dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione
    • 5-(2-furylmethylene)-2-thioxo-1,3-dihydropyr
    • 5-(furan-2'-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
    • 5-furan-2-ylmethylene-2-thioxodihydropyrimidine-4,6-dione
    • 5-Furfuryliden-2-thio-barbitursaeure
    • 5-furfurylidene-2-thio-barbituric acid
    • 5-furfurylidene-2-thioxo-dihydro-pyrimidine-4,6-dione
    • AC1LDWVB
    • AC1Q79A0
    • CTK4F9671
    • NSC96626
    • ST021624
    • STOCK1S-56117
    • 5-(furan-2-yl)methylidene-2-sulfanylidene-1,3-diazinane-4,6-dione
    • CCG-53892
    • BDBM50534267
    • AKOS030659818
    • 5-(furan-2-ylmethylidene)-2-sulfanylidene-1, 3-diazinane-4, 6-dione
    • SDCCGMLS-0065342.P001
    • SCHEMBL3181280
    • CS-0238656
    • 5-(furan-2-ylmethylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
    • DTXSID20350317
    • 27430-18-8
    • AKOS000521283
    • HMS1607J07
    • NSC-96626
    • EN300-198955
    • 5-[(Furan-2-yl)methylidene]-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione
    • CBA43018
    • F0777-0749
    • 5-[(Furan-2-yl)methylidene]-4,6-dihydroxy-2,5-dihydropyrimidine-2-thione
    • AB00682070-01
    • Z237732478
    • 5-[(furan-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
    • NSC 96626
    • SR-01000643022-1
    • AKOS001036274
    • 5-FURFURYLIDENE-2-THIOBARBITURICACID
    • AB00123094-02
    • CHEMBL4537015
    • 5-Furfurylidene-2-Thiobarbituric Acid
    • CD00509
    • STK970592
    • 5-(furan-2-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
    • (5E)-5-(furan-2-ylmethylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
    • G54712
    • STL296169
    • GLXC-03367
    • DA-49671
    • TS-09072
    • MDL： MFCD00020968
    • Inchi： 1S/C9H6N2O3S/c12-7-6(4-5-2-1-3-14-5)8(13)11-9(15)10-7/h1-4H,(H2,10,11,12,13,15)
    • InChI Key： VQRARDATQWRHGF-UHFFFAOYSA-N
    • SMILES： S=C1NC(/C(/C(N1)=O)=C\C1=CC=CO1)=O

Computed Properties

  • Exact Mass: 222.00998
  • Monoisotopic Mass: 222.009913
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 342
  • 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: 103
  • XLogP3: 0.7

Experimental Properties

  • Color/Form: No data available
  • Density: 1.54
  • Melting Point: Not available
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.685
  • PSA: 71.34
  • LogP: 0.85150
  • Vapor Pressure: Not available

5-(furan-2-yl)methylidene-2-sulfanylidene-1,3-diazinane-4,6-dione Security Information

5-(furan-2-yl)methylidene-2-sulfanylidene-1,3-diazinane-4,6-dione Pricemore >>

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5-(furan-2-yl)methylidene-2-sulfanylidene-1,3-diazinane-4,6-dione Related Literature

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Additional information on 5-(furan-2-yl)methylidene-2-sulfanylidene-1,3-diazinane-4,6-dione

Recent Advances in the Study of 5-(furan-2-yl)methylidene-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS: 27430-18-8)

The compound 5-(furan-2-yl)methylidene-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS: 27430-18-8) has recently garnered significant attention in the field of chemical biology and medicinal chemistry due to its unique structural features and potential therapeutic applications. This research briefing aims to provide an overview of the latest findings related to this compound, focusing on its synthesis, biological activities, and potential mechanisms of action.

Recent studies have highlighted the synthetic versatility of 5-(furan-2-yl)methylidene-2-sulfanylidene-1,3-diazinane-4,6-dione. Researchers have developed novel synthetic routes to optimize yield and purity, with a particular emphasis on green chemistry principles to minimize environmental impact. The compound's furan and dithiocarbamate moieties are believed to contribute to its reactivity and biological activity, making it a promising candidate for further investigation.

In terms of biological activity, preliminary in vitro studies have demonstrated that 5-(furan-2-yl)methylidene-2-sulfanylidene-1,3-diazinane-4,6-dione exhibits potent inhibitory effects against a range of enzymes, including those involved in inflammatory pathways and cancer progression. Notably, its ability to modulate key signaling pathways, such as NF-κB and MAPK, suggests potential applications in the treatment of chronic inflammatory diseases and certain malignancies.

Mechanistic studies have further elucidated the compound's interactions at the molecular level. X-ray crystallography and molecular docking simulations have revealed that 5-(furan-2-yl)methylidene-2-sulfanylidene-1,3-diazinane-4,6-dione binds to specific active sites of target proteins, disrupting their function. These findings provide a solid foundation for the rational design of derivatives with enhanced potency and selectivity.

Despite these promising results, challenges remain in translating these findings into clinical applications. Issues such as bioavailability, metabolic stability, and potential toxicity need to be addressed through comprehensive preclinical studies. Future research directions may include the development of prodrug strategies or formulation technologies to improve the compound's pharmacokinetic profile.

In conclusion, 5-(furan-2-yl)methylidene-2-sulfanylidene-1,3-diazinane-4,6-dione represents a compelling area of research in chemical biology and drug discovery. Its unique structural features and diverse biological activities position it as a valuable scaffold for the development of novel therapeutic agents. Continued investigation into its mechanisms of action and optimization of its pharmacological properties will be crucial for realizing its full potential in medicine.

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