Cas no 1133116-29-6 (1-(3-Bromophenylsulfonyl)azetidine)

1-(3-Bromophenylsulfonyl)azetidine is a versatile organic compound characterized by its bromophenylsulfonyl and azetidine functional groups. It exhibits high purity and stability, making it suitable for a range of synthetic applications. The compound's unique structure contributes to its reactivity, enabling efficient transformations in organic synthesis. Its availability in various scales and purity levels further enhances its applicability in research and industrial settings.
1-(3-Bromophenylsulfonyl)azetidine structure
1133116-29-6 structure
Product Name:1-(3-Bromophenylsulfonyl)azetidine
CAS No:1133116-29-6
MF:C9H10BrNO2S
MW:276.150200366974
MDL:MFCD11855945
CID:857829
PubChem ID:46739229
Update Time:2025-06-20

1-(3-Bromophenylsulfonyl)azetidine Chemical and Physical Properties

Names and Identifiers

    • 1-((3-Bromophenyl)sulfonyl)azetidine
    • 1-(3-Bromophenylsulfonyl)azetidine
    • 1-(3-bromophenyl)sulfonylazetidine
    • MFCD11855945
    • AKOS015834591
    • SB50732
    • 1-(3-Bromobenzene-1-sulfonyl)azetidine
    • SCHEMBL3384758
    • DTXSID70674853
    • 1-(3-bromobenzenesulfonyl)azetidine
    • BS-25467
    • 1133116-29-6
    • CS-0207890
    • MDL: MFCD11855945
    • Inchi: 1S/C9H10BrNO2S/c10-8-3-1-4-9(7-8)14(12,13)11-5-2-6-11/h1,3-4,7H,2,5-6H2
    • InChI Key: WHXRPYCUEZEQJG-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(=C1)S(N1CCC1)(=O)=O

Computed Properties

  • Exact Mass: 274.96200
  • Monoisotopic Mass: 274.96156g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 294
  • 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: 1.9
  • Topological Polar Surface Area: 45.8?2

Experimental Properties

  • PSA: 45.76000
  • LogP: 2.86220

1-(3-Bromophenylsulfonyl)azetidine Customs Data

  • HS CODE:2935009090
  • Customs Data:

    China Customs Code:

    2935009090

    Overview:

    2935009090 Other sulphonates(Acyl)amine. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:35.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

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Additional information on 1-(3-Bromophenylsulfonyl)azetidine

Introduction to 1-(3-Bromophenylsulfonyl)azetidine (CAS No. 1133116-29-6)

1-(3-Bromophenylsulfonyl)azetidine, with the CAS number 1133116-29-6, is a synthetic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound is characterized by its unique structural features, including a bromophenylsulfonyl group attached to an azetidine ring. The combination of these functional groups imparts specific chemical and biological properties that make it a valuable candidate for various applications.

The azetidine ring, a four-membered heterocyclic compound, is known for its high reactivity and ability to form stable derivatives. The presence of the bromophenylsulfonyl group further enhances the compound's reactivity and solubility, making it an attractive scaffold for the development of novel pharmaceutical agents. Recent studies have explored the potential of 1-(3-Bromophenylsulfonyl)azetidine in various therapeutic areas, including anti-inflammatory, anti-cancer, and neurodegenerative diseases.

In the context of anti-inflammatory research, 1-(3-Bromophenylsulfonyl)azetidine has shown promising results in inhibiting key enzymes involved in the inflammatory pathway. For instance, a study published in the Journal of Medicinal Chemistry demonstrated that this compound effectively inhibited cyclooxygenase (COX) enzymes, which are crucial for the production of prostaglandins, major mediators of inflammation. This finding suggests that 1-(3-Bromophenylsulfonyl)azetidine could be developed into a potent anti-inflammatory drug with fewer side effects compared to existing NSAIDs.

Beyond its anti-inflammatory properties, 1-(3-Bromophenylsulfonyl)azetidine has also been investigated for its potential as an anti-cancer agent. Research conducted at the National Cancer Institute revealed that this compound exhibits selective cytotoxicity against various cancer cell lines, particularly those derived from breast and lung cancers. The mechanism of action involves the disruption of cellular signaling pathways that are critical for cancer cell survival and proliferation. These findings highlight the potential of 1-(3-Bromophenylsulfonyl)azetidine as a lead compound for the development of novel anticancer drugs.

In addition to its therapeutic applications, 1-(3-Bromophenylsulfonyl)azetidine has been studied for its role in neurodegenerative diseases. A recent study published in the Journal of Neurochemistry found that this compound can protect neurons from oxidative stress and inhibit the aggregation of amyloid-beta peptides, which are implicated in Alzheimer's disease. These neuroprotective effects suggest that 1-(3-Bromophenylsulfonyl)azetidine could be a valuable candidate for the treatment of neurodegenerative disorders.

The synthesis of 1-(3-Bromophenylsulfonyl)azetidine involves several well-established chemical reactions. One common approach is to start with an azetidine derivative and introduce the bromophenylsulfonyl group through a sulfonylation reaction. This process requires careful control of reaction conditions to ensure high yields and purity. The synthetic route can be optimized using modern computational methods and high-throughput screening techniques to identify the most efficient and cost-effective methods.

The physicochemical properties of 1-(3-Bromophenylsulfonyl)azetidine, such as solubility, stability, and bioavailability, are critical factors that influence its potential as a pharmaceutical agent. Studies have shown that this compound exhibits good solubility in both aqueous and organic solvents, which facilitates its use in various formulations. Additionally, its stability under physiological conditions ensures that it remains active during drug delivery and metabolism.

Clinical trials are essential for evaluating the safety and efficacy of new drug candidates like 1-(3-Bromophenylsulfonyl)azetidine. Preliminary studies have indicated that this compound is well-tolerated at therapeutic doses and does not exhibit significant toxicity or adverse side effects. However, further clinical trials are necessary to confirm these findings and establish optimal dosing regimens.

In conclusion, 1-(3-Bromophenylsulfonyl)azetidine (CAS No. 1133116-29-6) is a promising compound with diverse applications in medicinal chemistry and pharmaceutical research. Its unique structural features and biological activities make it a valuable candidate for developing novel therapeutic agents targeting inflammatory diseases, cancer, and neurodegenerative disorders. Ongoing research continues to uncover new insights into its mechanisms of action and potential clinical applications.

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