Cas no 904524-81-8 (1-(3,4-dimethylphenyl)-4-(3-fluorophenyl)methyl-1,2,3,4-tetrahydropyrazine-2,3-dione)

1-(3,4-Dimethylphenyl)-4-(3-fluorophenyl)methyl-1,2,3,4-tetrahydropyrazine-2,3-dione is a heterocyclic compound featuring a tetrahydropyrazine-dione core substituted with 3,4-dimethylphenyl and 3-fluorobenzyl groups. This structure confers potential utility in pharmaceutical and agrochemical research, particularly in the development of biologically active molecules. The presence of both electron-donating (methyl) and electron-withdrawing (fluoro) substituents may enhance its reactivity and binding affinity in targeted applications. Its well-defined synthetic pathway allows for consistent purity and scalability. The compound’s stability under standard conditions makes it suitable for further derivatization or mechanistic studies. Researchers may explore its role as an intermediate in medicinal chemistry or as a scaffold for novel bioactive agents.
1-(3,4-dimethylphenyl)-4-(3-fluorophenyl)methyl-1,2,3,4-tetrahydropyrazine-2,3-dione structure
904524-81-8 structure
Product Name:1-(3,4-dimethylphenyl)-4-(3-fluorophenyl)methyl-1,2,3,4-tetrahydropyrazine-2,3-dione
CAS No:904524-81-8
MF:C19H17FN2O2
MW:324.348888158798
CID:6348781
PubChem ID:22520383
Update Time:2025-06-15

1-(3,4-dimethylphenyl)-4-(3-fluorophenyl)methyl-1,2,3,4-tetrahydropyrazine-2,3-dione Chemical and Physical Properties

Names and Identifiers

    • 1-(3,4-dimethylphenyl)-4-(3-fluorophenyl)methyl-1,2,3,4-tetrahydropyrazine-2,3-dione
    • F3407-2345
    • AKOS001913494
    • 904524-81-8
    • 1-(3,4-dimethylphenyl)-4-(3-fluorobenzyl)pyrazine-2,3(1H,4H)-dione
    • 1-(3,4-dimethylphenyl)-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione
    • Inchi: 1S/C19H17FN2O2/c1-13-6-7-17(10-14(13)2)22-9-8-21(18(23)19(22)24)12-15-4-3-5-16(20)11-15/h3-11H,12H2,1-2H3
    • InChI Key: UXIRUQBZUAVBHW-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(=C1)CN1C=CN(C(C1=O)=O)C1=CC=C(C)C(C)=C1

Computed Properties

  • Exact Mass: 324.12740595g/mol
  • Monoisotopic Mass: 324.12740595g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 3
  • Complexity: 522
  • 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: 3.3
  • Topological Polar Surface Area: 40.6?2

1-(3,4-dimethylphenyl)-4-(3-fluorophenyl)methyl-1,2,3,4-tetrahydropyrazine-2,3-dione Pricemore >>

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Additional information on 1-(3,4-dimethylphenyl)-4-(3-fluorophenyl)methyl-1,2,3,4-tetrahydropyrazine-2,3-dione

Recent Advances in the Study of 1-(3,4-dimethylphenyl)-4-(3-fluorophenyl)methyl-1,2,3,4-tetrahydropyrazine-2,3-dione (CAS: 904524-81-8)

The compound 1-(3,4-dimethylphenyl)-4-(3-fluorophenyl)methyl-1,2,3,4-tetrahydropyrazine-2,3-dione (CAS: 904524-81-8) has recently garnered significant attention in the field of chemical biology and pharmaceutical research. This heterocyclic compound, characterized by its unique tetrahydropyrazine-dione scaffold, has shown promising potential in various therapeutic applications, particularly in the modulation of neurological and inflammatory pathways. Recent studies have focused on elucidating its mechanism of action, pharmacokinetic properties, and potential clinical applications.

One of the key areas of investigation has been the compound's interaction with specific neurotransmitter receptors. Preliminary in vitro studies indicate that 904524-81-8 exhibits selective binding affinity towards serotonin and dopamine receptors, suggesting its potential utility in the treatment of neuropsychiatric disorders such as depression and schizophrenia. Furthermore, molecular docking simulations have revealed that the compound's 3-fluorophenylmethyl moiety plays a critical role in stabilizing these interactions, providing valuable insights for further structural optimization.

In addition to its neurological applications, recent research has explored the anti-inflammatory properties of 904524-81-8. A 2023 study published in the Journal of Medicinal Chemistry demonstrated that the compound significantly inhibits the production of pro-inflammatory cytokines, such as TNF-α and IL-6, in macrophage cell lines. This effect was attributed to the compound's ability to modulate the NF-κB signaling pathway, highlighting its potential as a novel anti-inflammatory agent. These findings have spurred further investigations into its efficacy in animal models of chronic inflammatory diseases.

Pharmacokinetic studies have also been conducted to evaluate the compound's bioavailability and metabolic stability. Results from these studies indicate that 904524-81-8 exhibits favorable oral absorption and moderate plasma half-life in rodent models. However, challenges remain in optimizing its metabolic clearance, as the compound undergoes rapid hepatic oxidation in some species. Researchers are currently exploring prodrug strategies and structural modifications to address these limitations and improve its therapeutic index.

The synthesis and scale-up of 904524-81-8 have also been areas of active research. Recent advancements in synthetic methodologies have enabled more efficient and cost-effective production of the compound, with improved yields and purity. These developments are critical for facilitating further preclinical and clinical studies, as well as for potential commercialization. Industry reports suggest that several pharmaceutical companies have expressed interest in licensing the compound for further development, underscoring its commercial potential.

In conclusion, the compound 1-(3,4-dimethylphenyl)-4-(3-fluorophenyl)methyl-1,2,3,4-tetrahydropyrazine-2,3-dione (CAS: 904524-81-8) represents a promising candidate for the treatment of neurological and inflammatory disorders. Ongoing research aims to further elucidate its mechanism of action, optimize its pharmacokinetic profile, and evaluate its efficacy in clinical settings. The continued exploration of this compound holds significant promise for advancing therapeutic options in these critical areas of medicine.

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