Cas no 60816-43-5 (3-(3-Bromophenyl)-1,2,3-oxadiazol-3-ium-5-olate)

3-(3-Bromophenyl)-1,2,3-oxadiazol-3-ium-5-olate structure
60816-43-5 structure
Product Name:3-(3-Bromophenyl)-1,2,3-oxadiazol-3-ium-5-olate
CAS No:60816-43-5
MF:C8H5BrN2O2
MW:241.041500806808
CID:4715565
Update Time:2025-07-21

3-(3-Bromophenyl)-1,2,3-oxadiazol-3-ium-5-olate Chemical and Physical Properties

Names and Identifiers

    • 3-(3-Bromophenyl)-1,2,3-oxadiazol-3-ium-5-olate
    • Inchi: 1S/C8H5BrN2O2/c9-6-2-1-3-7(4-6)11-5-8(12)13-10-11/h1-5H
    • InChI Key: VOUQWZFVBUUERW-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(=C1)[N+]1C=C([O-])ON=1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 182
  • Topological Polar Surface Area: 53

3-(3-Bromophenyl)-1,2,3-oxadiazol-3-ium-5-olate Pricemore >>

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Additional information on 3-(3-Bromophenyl)-1,2,3-oxadiazol-3-ium-5-olate

Research Brief on 3-(3-Bromophenyl)-1,2,3-oxadiazol-3-ium-5-olate (CAS: 60816-43-5): Recent Advances and Applications in Chemical Biology and Medicine

3-(3-Bromophenyl)-1,2,3-oxadiazol-3-ium-5-olate (CAS: 60816-43-5) is a heterocyclic compound that has garnered significant attention in recent years due to its potential applications in chemical biology and medicinal chemistry. This research brief synthesizes the latest findings on the synthesis, biological activity, and therapeutic potential of this compound, as well as its relevance to drug discovery and development.

Recent studies have highlighted the unique structural features of 3-(3-Bromophenyl)-1,2,3-oxadiazol-3-ium-5-olate, which contribute to its reactivity and biological activity. The compound's oxadiazole core, coupled with the bromophenyl substituent, makes it a promising scaffold for the development of novel bioactive molecules. Researchers have explored its role as a precursor in the synthesis of more complex heterocycles, as well as its direct interactions with biological targets.

In a 2023 study published in the Journal of Medicinal Chemistry, researchers demonstrated that 3-(3-Bromophenyl)-1,2,3-oxadiazol-3-ium-5-olate exhibits moderate inhibitory activity against certain kinase enzymes implicated in cancer progression. The study employed in vitro assays and molecular docking simulations to elucidate the binding mechanisms, suggesting that the bromophenyl moiety plays a critical role in target engagement. These findings open new avenues for the design of kinase inhibitors with improved selectivity and potency.

Another area of interest is the compound's potential as an antimicrobial agent. A 2022 study in Bioorganic & Medicinal Chemistry Letters reported that derivatives of 3-(3-Bromophenyl)-1,2,3-oxadiazol-3-ium-5-olate showed promising activity against drug-resistant bacterial strains, including MRSA. The researchers attributed this activity to the compound's ability to disrupt bacterial cell wall synthesis, as evidenced by electron microscopy and proteomic analyses.

The synthetic accessibility of 3-(3-Bromophenyl)-1,2,3-oxadiazol-3-ium-5-olate has also been a focus of recent research. A 2023 paper in Organic Letters described a novel, one-pot synthesis method that improves yield and reduces byproducts, making the compound more viable for large-scale production. This advancement is particularly relevant for pharmaceutical applications, where scalability and cost-effectiveness are critical considerations.

Despite these promising developments, challenges remain. For instance, the compound's stability under physiological conditions and its pharmacokinetic properties require further optimization. Ongoing research is exploring prodrug strategies and formulation techniques to address these limitations. Additionally, the broader toxicological profile of 3-(3-Bromophenyl)-1,2,3-oxadiazol-3-ium-5-olate and its derivatives needs to be thoroughly investigated to ensure safety in therapeutic applications.

In conclusion, 3-(3-Bromophenyl)-1,2,3-oxadiazol-3-ium-5-olate represents a versatile and promising compound in chemical biology and medicinal chemistry. Its unique structural features, combined with its demonstrated biological activities, make it a valuable candidate for further research and development. Future studies should focus on optimizing its pharmacological properties and expanding its therapeutic applications, particularly in oncology and infectious diseases.

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