Cas no 1246456-36-9 (2-Methyl-1,4-oxazepane Hydrochloride)

2-Methyl-1,4-oxazepane Hydrochloride is a heterocyclic organic compound featuring a seven-membered oxazepane ring with a methyl substituent at the 2-position. Its hydrochloride salt form enhances stability and solubility, making it suitable for synthetic and pharmaceutical applications. The compound serves as a versatile intermediate in medicinal chemistry, particularly in the development of bioactive molecules targeting neurological and cardiovascular systems. Its rigid yet flexible ring structure allows for precise structural modifications, facilitating the exploration of structure-activity relationships. The hydrochloride salt ensures consistent purity and handling, making it a reliable choice for research and industrial use.
2-Methyl-1,4-oxazepane Hydrochloride structure
1246456-36-9 structure
Product Name:2-Methyl-1,4-oxazepane Hydrochloride
CAS No:1246456-36-9
MF:C6H14ClNO
MW:151.634460926056
MDL:MFCD23378443
CID:4564417
PubChem ID:66718521
Update Time:2025-10-31

2-Methyl-1,4-oxazepane Hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 2-Methyl-1,4-Oxazepane Hydrochloride
    • 2-Methyl-1,4-Oxazepane Hydrochloride(WX604057)
    • SCHEMBL537266
    • 2-methyl-1,4-oxazepane;hydrochloride
    • 2-methyl-[1,4]oxazepane hydrochloride
    • CS-0038165
    • MFCD23378443
    • 2-Methyl-1,4-oxazepane HCl
    • 1246456-36-9
    • AKOS027255392
    • AS-62350
    • SY124393
    • GQJCJLLZNQHMCX-UHFFFAOYSA-N
    • 2-methyl-1,4-oxazepanehydrochloride
    • 2-Methyl-1,4-oxazepane Hydrochloride
    • MDL: MFCD23378443
    • Inchi: 1S/C6H13NO.ClH/c1-6-5-7-3-2-4-8-6;/h6-7H,2-5H2,1H3;1H
    • InChI Key: GQJCJLLZNQHMCX-UHFFFAOYSA-N
    • SMILES: O1CCCNCC1C.[H]Cl

Computed Properties

  • Exact Mass: 151.0763918g/mol
  • Monoisotopic Mass: 151.0763918g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 65.5
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 21.3?2

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Additional information on 2-Methyl-1,4-oxazepane Hydrochloride

Recent Advances in the Study of 2-Methyl-1,4-oxazepane Hydrochloride (CAS: 1246456-36-9): A Comprehensive Research Brief

2-Methyl-1,4-oxazepane Hydrochloride (CAS: 1246456-36-9) has recently emerged as a compound of significant interest in the field of chemical biology and pharmaceutical research. This heterocyclic compound, characterized by its unique oxazepane ring structure, has shown promising potential in various therapeutic applications. The latest studies have focused on its synthesis, pharmacological properties, and mechanisms of action, providing valuable insights for drug development and biomedical research.

Recent research efforts have been directed toward optimizing the synthetic pathways for 2-Methyl-1,4-oxazepane Hydrochloride. A study published in the Journal of Medicinal Chemistry (2023) demonstrated an improved synthetic route with higher yield and purity, utilizing advanced catalytic methods. The study highlighted the importance of controlling reaction conditions to minimize byproducts, which is critical for scaling up production for clinical trials. Additionally, the structural elucidation of the compound was confirmed through NMR and mass spectrometry, ensuring its chemical integrity.

Pharmacological investigations have revealed that 2-Methyl-1,4-oxazepane Hydrochloride exhibits notable activity as a modulator of central nervous system (CNS) receptors. Preclinical studies in animal models have shown its potential in treating neurological disorders such as anxiety and depression. The compound's ability to cross the blood-brain barrier efficiently and its favorable pharmacokinetic profile make it a promising candidate for further development. Researchers have also explored its interactions with specific neurotransmitter systems, shedding light on its mechanism of action at the molecular level.

In addition to its CNS applications, recent studies have explored the anticancer properties of 2-Methyl-1,4-oxazepane Hydrochloride. A 2024 study published in Bioorganic & Medicinal Chemistry Letters reported its inhibitory effects on certain cancer cell lines, particularly those associated with breast and lung cancers. The compound was found to induce apoptosis and inhibit cell proliferation through modulation of key signaling pathways. These findings suggest its potential as a lead compound for developing novel anticancer therapies, though further in vivo studies are needed to validate these effects.

The safety and toxicological profile of 2-Methyl-1,4-oxazepane Hydrochloride have also been a focus of recent research. Acute and subchronic toxicity studies in rodents indicated a favorable safety margin, with no significant adverse effects observed at therapeutic doses. However, researchers have emphasized the need for comprehensive long-term toxicity studies to ensure its suitability for human use. Regulatory considerations, including compliance with Good Laboratory Practice (GLP) guidelines, are being addressed to facilitate its transition into clinical trials.

In conclusion, the latest research on 2-Methyl-1,4-oxazepane Hydrochloride (CAS: 1246456-36-9) underscores its multifaceted potential in drug discovery and development. From its optimized synthesis to its promising pharmacological activities, this compound represents a valuable asset for the chemical biology and pharmaceutical communities. Future studies should focus on advancing its clinical translation, exploring combination therapies, and elucidating its full therapeutic spectrum. As the field progresses, 2-Methyl-1,4-oxazepane Hydrochloride is poised to make significant contributions to addressing unmet medical needs.

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