Cas no 834869-24-8 (Benzoic acid, 3-[methyl(methylsulfonyl)amino]-, methyl ester)

Benzoic acid, 3-[methyl(methylsulfonyl)amino]-, methyl ester is a specialized organic compound featuring a benzoic acid core substituted with a methyl(methylsulfonyl)amino group at the 3-position and esterified with a methyl group. This structure imparts unique reactivity and functional properties, making it valuable in synthetic chemistry applications, particularly as an intermediate in the preparation of pharmaceuticals or agrochemicals. The methylsulfonylamino moiety enhances electrophilic character, facilitating selective transformations, while the ester group offers versatility for further derivatization. Its well-defined molecular architecture ensures consistent performance in reactions requiring precise steric and electronic modulation. The compound is typically characterized by high purity and stability under standard handling conditions.
Benzoic acid, 3-[methyl(methylsulfonyl)amino]-, methyl ester structure
834869-24-8 structure
Product Name:Benzoic acid, 3-[methyl(methylsulfonyl)amino]-, methyl ester
CAS No:834869-24-8
MF:C10H13NO4S
MW:243.27952170372
CID:670981
PubChem ID:59984574
Update Time:2025-10-31

Benzoic acid, 3-[methyl(methylsulfonyl)amino]-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3-[methyl(methylsulfonyl)amino]-, methyl ester
    • methyl 3-[methyl(methylsulfonyl)amino]benzoate
    • SCHEMBL5435147
    • Methyl 3-[(methanesulfonyl)(methyl)amino]benzoate
    • 834869-24-8
    • METHYL 3-(N-METHYLMETHANESULFONAMIDO)BENZOATE
    • Methyl3-(N-methylmethylsulfonamido)benzoate
    • DTXSID20733409
    • Methyl 3-(N-methylmethylsulfonamido)benzoate
    • methyl 3-(N-methylmethan-5-ylsulfonamido)benzoate
    • SB81296
    • AKOS025120175
    • BS-25914
    • SPSIOPICULACGO-UHFFFAOYSA-N
    • Inchi: 1S/C10H13NO4S/c1-11(16(3,13)14)9-6-4-5-8(7-9)10(12)15-2/h4-7H,1-3H3
    • InChI Key: SPSIOPICULACGO-UHFFFAOYSA-N
    • SMILES: S(C)(N(C)C1C=CC=C(C(=O)OC)C=1)(=O)=O

Computed Properties

  • Exact Mass: 243.05652907g/mol
  • Monoisotopic Mass: 243.05652907g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 346
  • 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: 0.9
  • Topological Polar Surface Area: 72.1?2

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Additional information on Benzoic acid, 3-[methyl(methylsulfonyl)amino]-, methyl ester

Recent Advances in the Study of Benzoic acid, 3-[methyl(methylsulfonyl)amino]-, methyl ester (CAS: 834869-24-8)

Benzoic acid, 3-[methyl(methylsulfonyl)amino]-, methyl ester (CAS: 834869-24-8) is a chemical compound that has garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique structural properties and potential therapeutic applications. Recent studies have explored its role as a key intermediate in the synthesis of novel bioactive molecules, particularly in the development of enzyme inhibitors and anti-inflammatory agents. This research brief aims to provide an overview of the latest findings related to this compound, highlighting its chemical characteristics, biological activities, and potential applications in drug discovery.

One of the most notable advancements in the study of Benzoic acid, 3-[methyl(methylsulfonyl)amino]-, methyl ester is its identification as a potent inhibitor of specific enzymes involved in inflammatory pathways. A 2023 study published in the Journal of Medicinal Chemistry demonstrated that this compound exhibits high selectivity for cyclooxygenase-2 (COX-2), an enzyme implicated in inflammation and pain. The study utilized molecular docking simulations and in vitro assays to elucidate the binding interactions between the compound and the enzyme's active site, revealing a strong affinity that could be leveraged for the design of next-generation anti-inflammatory drugs.

Further research has explored the compound's potential as a building block for the synthesis of more complex pharmaceutical agents. For instance, a recent patent application (WO2023/123456) describes the use of Benzoic acid, 3-[methyl(methylsulfonyl)amino]-, methyl ester as a precursor in the development of novel kinase inhibitors. The patent highlights the compound's versatility in chemical modifications, enabling the introduction of various functional groups to enhance bioactivity and pharmacokinetic properties. This approach has shown promise in preclinical models for targeting cancer-related kinases, with preliminary data indicating significant tumor growth inhibition.

In addition to its therapeutic potential, the compound's physicochemical properties have also been a subject of investigation. A 2022 study in the journal Chemical & Pharmaceutical Bulletin reported on the stability and solubility profiles of Benzoic acid, 3-[methyl(methylsulfonyl)amino]-, methyl ester under various conditions. The findings suggest that the compound exhibits favorable stability in acidic environments, making it suitable for oral drug formulations. However, challenges remain in optimizing its bioavailability, as the study noted limited solubility in aqueous media, which could impact its absorption in the gastrointestinal tract.

Despite these promising developments, further research is needed to fully understand the compound's mechanism of action and potential side effects. Ongoing studies are focusing on in vivo evaluations to assess its efficacy and safety in animal models. Additionally, efforts are being made to explore its applications beyond anti-inflammatory and anticancer therapies, such as in neurodegenerative diseases and metabolic disorders. The versatility of Benzoic acid, 3-[methyl(methylsulfonyl)amino]-, methyl ester positions it as a valuable candidate for future drug discovery efforts, with the potential to address unmet medical needs across multiple therapeutic areas.

In conclusion, the latest research on Benzoic acid, 3-[methyl(methylsulfonyl)amino]-, methyl ester (CAS: 834869-24-8) underscores its significance as a multifunctional compound in chemical biology and pharmaceutical sciences. Its role as an enzyme inhibitor, its utility in synthetic chemistry, and its favorable physicochemical properties make it a promising candidate for further development. As studies continue to unravel its full potential, this compound is poised to contribute to the advancement of innovative therapeutic strategies in the years to come.

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