Cas no 1951441-20-5 (azepan-3-ol;hydrochloride)

Azepan-3-ol hydrochloride is a heterocyclic organic compound featuring a seven-membered azepane ring with a hydroxyl group at the 3-position, formulated as its hydrochloride salt for enhanced stability and solubility. This compound serves as a versatile intermediate in pharmaceutical synthesis, particularly in the development of central nervous system (CNS) agents and bioactive molecules. The hydrochloride salt form improves handling and storage characteristics while maintaining reactivity for further functionalization. Its structural framework is valuable for constructing complex pharmacophores, offering potential applications in medicinal chemistry research. The compound’s purity and consistent performance make it suitable for rigorous synthetic workflows.
azepan-3-ol;hydrochloride structure
azepan-3-ol;hydrochloride structure
Product Name:azepan-3-ol;hydrochloride
CAS No:1951441-20-5
MF:C6H14ClNO
MW:151.6345
MDL:MFCD27997424
CID:4742192
PubChem ID:118992689
Update Time:2026-02-25

azepan-3-ol;hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 3-Azepanol hydrochloride (1:1)
    • Azepan-3-ol hydrochloride
    • AZEPAN-3-OL HCL
    • (R)-Azepan-3-ol hydrochloride
    • azepan-3-ol;hydrochloride
    • Azepan-3-olhydrochloride
    • SB34728
    • SY127048
    • SB48055
    • WS-01541
    • 1951441-20-5
    • DB-197722
    • BDD44120
    • EN300-7407938
    • MFCD27997424
    • SCHEMBL18641418
    • (S)-Azepan-3-ol hydrochloride
    • MDL: MFCD27997424
    • Inchi: 1S/C6H13NO.ClH/c8-6-3-1-2-4-7-5-6;/h6-8H,1-5H2;1H
    • InChI Key: UDCSEKAGGOQECK-UHFFFAOYSA-N
    • SMILES: Cl[H].O([H])C1([H])C([H])([H])N([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]

Computed Properties

  • Exact Mass: 151.0763918g/mol
  • Monoisotopic Mass: 151.0763918g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • 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: 32.299

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Additional information on azepan-3-ol;hydrochloride

A Comprehensive Overview of Azepan-3-ol; Hydrochloride (CAS No. 1951441-20-5)

Azepan-3-ol; hydrochloride (CAS No. 1951441-20-5) is a compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research due to its unique structural properties and potential therapeutic applications. This article provides an in-depth exploration of the compound, including its chemical structure, synthesis methods, pharmacological properties, and recent advancements in its research and development.

Chemical Structure and Properties

Azepan-3-ol; hydrochloride is a derivative of azepane, a seven-membered heterocyclic ring containing a nitrogen atom. The compound features a hydroxyl group at the C-3 position, which is protonated to form the hydrochloride salt. This structural arrangement confers specific chemical and physical properties to the molecule, such as solubility in water and organic solvents, which are crucial for its pharmaceutical applications.

The molecular formula of azepan-3-ol; hydrochloride is C7H15NO2·HCl, with a molecular weight of approximately 178.66 g/mol. The compound exhibits a white crystalline form and has a melting point ranging from 170°C to 172°C. These characteristics make it suitable for various analytical and preparative techniques in laboratory settings.

Synthesis Methods

The synthesis of azepan-3-ol; hydrochloride has been extensively studied, with several methods reported in the literature. One common approach involves the cyclization of an appropriate amino alcohol precursor followed by protonation with hydrochloric acid. For instance, the reaction of 3-amino-1-propanol with formaldehyde under basic conditions can yield the desired azepane ring, which is then converted to the hydroxyl derivative and subsequently protonated to form the hydrochloride salt.

An alternative synthetic route involves the use of transition metal-catalyzed reactions, such as palladium-catalyzed coupling reactions, to construct the azepane ring. This method offers advantages in terms of yield and purity, making it suitable for large-scale production processes in pharmaceutical manufacturing.

Pharmacological Properties

Azepan-3-ol; hydrochloride has been investigated for its potential pharmacological activities, particularly as a modulator of neurotransmitter systems. Studies have shown that the compound exhibits affinity for certain receptors in the central nervous system (CNS), including serotonin (5-HT) receptors and dopamine receptors. This interaction suggests potential applications in treating neurological disorders such as depression, anxiety, and schizophrenia.

In preclinical studies, azepan-3-ol; hydrochloride has demonstrated antidepressant-like effects in animal models. For example, it has been shown to reduce immobility time in the forced swim test and increase exploratory behavior in the open field test, indicating its potential as an antidepressant agent. Additionally, preliminary data suggest that the compound may have anxiolytic properties, as evidenced by reduced anxiety-like behavior in elevated plus maze tests.

Clinical Trials and Research Advancements

The therapeutic potential of azepan-3-ol; hydrochloride has led to several clinical trials aimed at evaluating its safety and efficacy in human subjects. Early-phase clinical trials have focused on assessing the pharmacokinetics and pharmacodynamics of the compound, as well as its tolerability at various dose levels.

Preliminary results from these trials have been promising, with no significant adverse effects reported at therapeutic doses. The compound has shown good bioavailability following oral administration and a favorable safety profile, supporting its further development as a potential treatment for mood disorders.

Ongoing research is also exploring the potential of azepan-3-ol; hydrochloride in combination therapy with other established medications. For instance, studies are investigating its synergistic effects when used alongside selective serotonin reuptake inhibitors (SSRIs) or monoamine oxidase inhibitors (MAOIs). These combination therapies may offer enhanced therapeutic outcomes with reduced side effects compared to monotherapy approaches.

FUTURE DIRECTIONS AND CONCLUSIONS

The continued investigation of azepan-3-ol; hydrochloride holds significant promise for advancing our understanding of neurotransmitter modulation and developing novel treatments for neurological disorders. Future research will likely focus on optimizing dosing regimens, exploring new delivery methods, and conducting larger-scale clinical trials to validate its efficacy and safety.

In conclusion, Azepan-3-ol; hydrochloride (CAS No. 1951441-20-5) is a promising compound with unique structural features and pharmacological properties that warrant further exploration. Its potential applications in treating mood disorders make it an exciting area of research for medicinal chemists and pharmaceutical scientists alike.

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