Cas no 904816-03-1 (6-(Azepan-2-yl)quinoline)

6-(Azepan-2-yl)quinoline is a heterocyclic compound featuring a quinoline core substituted with an azepane moiety at the 6-position. This structural combination imparts unique physicochemical properties, making it a valuable intermediate in pharmaceutical and agrochemical research. The azepane ring enhances conformational flexibility, potentially improving binding affinity in bioactive molecules. Its quinoline backbone offers stability and π-electron density, beneficial for applications in catalysis and material science. The compound’s synthetic versatility allows for further functionalization, enabling tailored modifications for specific applications. High purity grades are available to ensure reproducibility in research and development. Suitable for use in medicinal chemistry, ligand design, and as a scaffold for novel heterocyclic derivatives.
6-(Azepan-2-yl)quinoline structure
6-(Azepan-2-yl)quinoline structure
Product Name:6-(Azepan-2-yl)quinoline
CAS No:904816-03-1
MF:C15H18N2
MW:226.316823482513
MDL:MFCD06660472
CID:994862
PubChem ID:16740811
Update Time:2025-06-13

6-(Azepan-2-yl)quinoline Chemical and Physical Properties

Names and Identifiers

    • 6-AZEPAN-2-YL-QUINOLINE
    • 6-(hexahydro-1H-azepin-2-yl)Quinoline
    • AKOS005257186
    • 6-Azepan-2-ylquinoline
    • MFCD06660472
    • FT-0719802
    • 6-(azepan-2-yl)quinoline
    • DTXSID70587696
    • MS-20169
    • 904816-03-1
    • BBL101155
    • DB-078695
    • STL554951
    • 6-(Azepan-2-yl)quinoline
    • MDL: MFCD06660472
    • Inchi: 1S/C15H18N2/c1-2-6-14(16-9-3-1)13-7-8-15-12(11-13)5-4-10-17-15/h4-5,7-8,10-11,14,16H,1-3,6,9H2
    • InChI Key: VUWMEMWWPBIMMA-UHFFFAOYSA-N
    • SMILES: N1CCCCCC1C1C=CC2C(=CC=CN=2)C=1

Computed Properties

  • Exact Mass: 226.146998583g/mol
  • Monoisotopic Mass: 226.146998583g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 241
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 24.9?2

6-(Azepan-2-yl)quinoline Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B408838-10mg
6-(Azepan-2-yl)quinoline
904816-03-1
10mg
$ 87.00 2023-04-18
TRC
B408838-50mg
6-(Azepan-2-yl)quinoline
904816-03-1
50mg
$ 196.00 2023-04-18
TRC
B408838-100mg
6-(Azepan-2-yl)quinoline
904816-03-1
100mg
$ 305.00 2023-04-18
abcr
AB424530-1 g
6-(Azepan-2-yl)quinoline
904816-03-1
1 g
€736.80 2023-07-18
abcr
AB424530-1g
6-(Azepan-2-yl)quinoline; .
904816-03-1
1g
€736.80 2025-04-15
abcr
AB424530-5g
6-(Azepan-2-yl)quinoline; .
904816-03-1
5g
€1446.80 2025-04-15
abcr
AB424530-10g
6-(Azepan-2-yl)quinoline; .
904816-03-1
10g
€1872.80 2025-04-15
Key Organics Ltd
MS-20169-0.5g
6-Azepan-2-yl-quinoline
904816-03-1 >95%
0.5g
£286.00 2025-02-08
Key Organics Ltd
MS-20169-1g
6-Azepan-2-yl-quinoline
904816-03-1 >95%
1g
£390.00 2025-02-08
A2B Chem LLC
AH86917-250mg
6-AZEPAN-2-YL-QUINOLINE
904816-03-1 95%
250mg
$232.00 2024-05-20

6-(Azepan-2-yl)quinoline Related Literature

Additional information on 6-(Azepan-2-yl)quinoline

Introduction to 6-(Azepan-2-yl)quinoline (CAS No. 904816-03-1)

6-(Azepan-2-yl)quinoline, identified by the Chemical Abstracts Service Number (CAS No.) 904816-03-1, is a significant compound in the realm of pharmaceutical chemistry and medicinal research. This heterocyclic molecule combines the structural features of quinoline and azepane, making it a versatile scaffold for the development of novel therapeutic agents. The unique arrangement of nitrogen atoms in its structure imparts distinctive electronic and steric properties, which are highly valued in drug design.

The quinoline moiety, a well-known pharmacophore, has a rich history in medicinal chemistry, with several clinically approved drugs derived from this scaffold. Notably, derivatives of quinoline have demonstrated efficacy in treating malaria, tuberculosis, and certain types of cancer. The introduction of the azepan-2-yl group into the quinoline framework introduces conformational flexibility and alters the pharmacokinetic profile of the compound. This modification has been strategically employed to enhance binding affinity and reduce toxicity, making 6-(Azepan-2-yl)quinoline a promising candidate for further investigation.

Recent advancements in computational chemistry and molecular modeling have facilitated a deeper understanding of the interactions between 6-(Azepan-2-yl)quinoline and biological targets. Studies have revealed that the compound can effectively modulate enzyme activity and receptor binding, suggesting its potential in addressing various diseases. For instance, research has indicated that this molecule may exhibit inhibitory effects on kinases and other enzymes involved in cancer progression. Additionally, its ability to cross the blood-brain barrier has raised interest in its potential applications in neurodegenerative disorders.

The synthesis of 6-(Azepan-2-yl)quinoline involves multi-step organic reactions that require precise control over reaction conditions to ensure high yield and purity. Modern synthetic methodologies, such as transition metal-catalyzed cross-coupling reactions, have been instrumental in optimizing the production process. These techniques not only improve efficiency but also minimize waste, aligning with the principles of green chemistry. The growing emphasis on sustainable practices in pharmaceutical manufacturing makes the development of such compounds particularly relevant.

In vitro and in vivo studies have provided valuable insights into the pharmacological properties of 6-(Azepan-2-yl)quinoline. Preliminary results suggest that it exhibits significant antitumor activity by inhibiting key signaling pathways involved in cell proliferation and survival. Furthermore, its interaction with DNA has been studied to assess potential therapeutic effects against genetic disorders. The compound's stability under various physiological conditions also enhances its suitability for clinical applications.

The structural diversity offered by 6-(Azepan-2-yl)quinoline allows for extensive derivatization, enabling researchers to fine-tune its biological activity. By introducing different substituents at strategic positions within the molecule, new analogs with enhanced potency and selectivity can be generated. This flexibility is particularly advantageous in addressing complex diseases that require tailored therapeutic approaches. Collaborative efforts between academic institutions and pharmaceutical companies are crucial for translating these findings into tangible medical breakthroughs.

The regulatory landscape for novel compounds like 6-(Azepan-2-yl)quinoline is stringent but well-established, ensuring that only safe and effective drugs reach patients. Regulatory agencies require comprehensive data on chemical composition, pharmacokinetics, toxicology, and clinical efficacy before approving a new drug candidate. The rigorous testing process underscores the importance of thorough research and development before commercialization.

Future directions in the study of 6-(Azepan-2-yl)quinoline include exploring its potential in combination therapies with other drugs to maximize therapeutic benefits while minimizing side effects. Additionally, investigating its role in preclinical models will provide further evidence of its clinical relevance. The integration of artificial intelligence (AI) into drug discovery processes has accelerated the identification of promising candidates like this one, offering hope for faster development cycles.

The impact of 6-(Azepan-2-yl)quinoline extends beyond academic research; it represents a significant step forward in addressing unmet medical needs. As our understanding of disease mechanisms evolves, compounds like this one will continue to play a pivotal role in developing innovative treatments. The interdisciplinary nature of modern pharmaceutical research ensures that advancements are made collaboratively across various scientific disciplines.

In conclusion,6-(Azepan-2-yl)quinoline (CAS No. 904816-03-1) is a structurally unique compound with immense potential in pharmaceutical applications. Its synthesis, pharmacological properties, and future prospects highlight its importance as a scaffold for drug development. Continued research efforts will likely uncover even more about its capabilities and contribute to improving global health outcomes.

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