Cas no 1247734-80-0 (1-(5-Methylisoxazol-3-yl)methanamine hydrobromide)

1-(5-Methylisoxazol-3-yl)methanamine hydrobromide is a hydrobromide salt derivative of 1-(5-methylisoxazol-3-yl)methanamine, commonly utilized as a key intermediate in pharmaceutical and organic synthesis. Its stable crystalline form ensures consistent handling and storage properties, while the hydrobromide moiety enhances solubility in polar solvents, facilitating reactions in aqueous or mixed-phase systems. The isoxazole ring confers structural versatility, making it valuable for the development of bioactive compounds, particularly in medicinal chemistry applications. This compound is characterized by high purity and well-defined stoichiometry, ensuring reproducibility in synthetic workflows. Its utility extends to the preparation of heterocyclic derivatives and potential pharmacophores.
1-(5-Methylisoxazol-3-yl)methanamine hydrobromide structure
1247734-80-0 structure
Product Name:1-(5-Methylisoxazol-3-yl)methanamine hydrobromide
CAS No:1247734-80-0
MF:C5H9BrN2O
MW:193.041760206223
CID:4691108
Update Time:2025-05-20

1-(5-Methylisoxazol-3-yl)methanamine hydrobromide Chemical and Physical Properties

Names and Identifiers

    • 1-(5-methylisoxazol-3-yl)methanamine hydrobromide
    • (5-Methyl-3-isoxazolyl)methanamine Hydrobromide
    • [(5-Methyl-3-isoxazolyl)methyl]amine hydrobromide
    • 1-(5-Methylisoxazol-3-yl)methanamine hydrobromide
    • Inchi: 1S/C5H8N2O.BrH/c1-4-2-5(3-6)7-8-4;/h2H,3,6H2,1H3;1H
    • InChI Key: PBHNUVVLBULHPC-UHFFFAOYSA-N
    • SMILES: Br.O1C(C)=CC(CN)=N1

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 76.8
  • Topological Polar Surface Area: 52

1-(5-Methylisoxazol-3-yl)methanamine hydrobromide Security Information

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Additional information on 1-(5-Methylisoxazol-3-yl)methanamine hydrobromide

Introduction to 1-(5-Methylisoxazol-3-yl)methanamine hydrobromide (CAS No. 1247734-80-0)

1-(5-Methylisoxazol-3-yl)methanamine hydrobromide, identified by its Chemical Abstracts Service (CAS) number 1247734-80-0, is a significant compound in the realm of pharmaceutical chemistry and medicinal research. This compound belongs to the isoxazole class, a heterocyclic structure known for its broad biological activity and utility in drug development. The presence of a methylisoxazol-3-yl moiety and an amine functional group endows this molecule with unique chemical and pharmacological properties, making it a subject of considerable interest in contemporary research.

The hydrobromide salt form of this compound enhances its solubility and stability, facilitating its use in various biochemical assays and pharmaceutical formulations. The structural features of 1-(5-Methylisoxazol-3-yl)methanamine hydrobromide suggest potential applications in the treatment of inflammatory diseases, infectious disorders, and other therapeutic areas where modulating biological pathways is crucial.

In recent years, there has been growing attention on isoxazole derivatives due to their demonstrated efficacy in inhibiting key enzymes and receptors involved in pathophysiological processes. Research has highlighted the role of 5-methylisoxazol-3-yl substituted compounds in modulating inflammatory responses, particularly through interactions with cyclooxygenase (COX) and lipoxygenase (LOX) pathways. These pathways are pivotal in the production of prostaglandins and leukotrienes, which are mediators of inflammation and pain.

One of the most compelling aspects of 1-(5-Methylisoxazol-3-yl)methanamine hydrobromide is its potential as an inhibitor of enzymes that contribute to the progression of chronic diseases. Studies have indicated that this compound may exhibit inhibitory activity against COX-2, a key enzyme involved in the inflammatory response. The methylisoxazol-3-yl group is particularly noteworthy for its ability to interact with the active site of COX enzymes, thereby reducing the synthesis of pro-inflammatory mediators.

Furthermore, the amine functionality in 1-(5-Methylisoxazol-3-yl)methanamine hydrobromide opens up possibilities for further chemical modifications, allowing researchers to fine-tune its pharmacological properties. This flexibility is crucial in drug discovery, where optimizing solubility, bioavailability, and target specificity are paramount. The hydrobromide salt form not only improves solubility but also ensures a more predictable pharmacokinetic profile, which is essential for clinical translation.

The compound has been the focus of several preclinical studies aimed at evaluating its therapeutic potential. Initial findings suggest that 1-(5-Methylisoxazol-3-yl)methanamine hydrobromide may have anti-inflammatory and analgesic effects comparable to existing drugs but with potentially fewer side effects. This is particularly relevant given the growing concern over the long-term use of nonsteroidal anti-inflammatory drugs (NSAIDs), which can lead to gastrointestinal and cardiovascular complications.

Recent advances in computational chemistry have enabled more efficient screening of compounds like 1-(5-Methylisoxazol-3-yl)methanamine hydrobromide for their biological activity. Molecular docking studies have shown that this compound can bind effectively to COX enzymes, with binding affinities that rival those of known inhibitors. These studies provide a strong foundation for further experimental validation and optimization.

The synthesis of 1-(5-Methylisoxazol-3-yl)methanamine hydrobromide involves multi-step organic reactions that require precise control over reaction conditions to ensure high yield and purity. Researchers have developed optimized synthetic routes that minimize byproduct formation and maximize efficiency. These synthetic strategies are critical for scaling up production for both research and clinical purposes.

In conclusion, 1-(5-Methylisoxazol-3-yl)methanamine hydrobromide (CAS No. 1247734-80-0) represents a promising candidate for further development in pharmaceutical applications. Its structural features, combined with its demonstrated biological activity, make it a valuable tool for researchers exploring new therapeutic strategies. As research continues to uncover the full potential of this compound, it is likely to play an increasingly important role in addressing some of the most pressing medical challenges of our time.

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