Cas no 94520-29-3 (2-(azepan-1-yl)pyridin-3-amine)

2-(Azepan-1-yl)pyridin-3-amine is a heterocyclic amine compound featuring a pyridine core substituted with an azepane ring at the 2-position and an amine group at the 3-position. This structure imparts unique reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. Its fused ring system enhances stability while offering versatile functionalization sites for further derivatization. The compound’s balanced lipophilicity and basicity contribute to favorable solubility and binding properties in medicinal chemistry applications. It is particularly useful in the development of bioactive molecules, including kinase inhibitors and receptor modulators, due to its ability to engage in hydrogen bonding and π-stacking interactions. Suitable for controlled reactions under standard conditions.
2-(azepan-1-yl)pyridin-3-amine structure
94520-29-3 structure
Product Name:2-(azepan-1-yl)pyridin-3-amine
CAS No:94520-29-3
MF:C11H17N3
MW:191.272782087326
MDL:MFCD08700177
CID:1077890
PubChem ID:16773399
Update Time:2025-11-01

2-(azepan-1-yl)pyridin-3-amine Chemical and Physical Properties

Names and Identifiers

    • 2-(1-Azepanyl)-3-pyridinamine
    • CHEMBL3547974
    • SB54556
    • 94520-29-3
    • VS-10225
    • EN300-265483
    • 2-(azepan-1-yl)pyridin-3-amine
    • F1907-0368
    • AKOS000129611
    • STL253605
    • BBL031080
    • MDL: MFCD08700177
    • Inchi: 1S/C11H17N3/c12-10-6-5-7-13-11(10)14-8-3-1-2-4-9-14/h5-7H,1-4,8-9,12H2
    • InChI Key: DLQKPQFEDNKZME-UHFFFAOYSA-N
    • SMILES: N1(C2C(=CC=CN=2)N)CCCCCC1

Computed Properties

  • Exact Mass: 191.142247555g/mol
  • Monoisotopic Mass: 191.142247555g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 164
  • 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: 1.8
  • Topological Polar Surface Area: 42.2?2

2-(azepan-1-yl)pyridin-3-amine Security Information

  • HazardClass:IRRITANT

2-(azepan-1-yl)pyridin-3-amine Pricemore >>

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Additional information on 2-(azepan-1-yl)pyridin-3-amine

Introduction to 2-(azepan-1-yl)pyridin-3-amine (CAS No. 94520-29-3) in Modern Chemical and Pharmaceutical Research

2-(azepan-1-yl)pyridin-3-amine, identified by the chemical identifier CAS No. 94520-29-3, is a compound of significant interest in the realm of pharmaceutical chemistry and medicinal biology. This molecule, featuring a pyridine ring linked to an azepane moiety through an amine functional group, has garnered attention due to its structural versatility and potential biological activity. The integration of these heterocyclic structures not only enhances the compound's solubility and metabolic stability but also opens avenues for exploring novel pharmacological interactions.

The azepan-1-yl substituent in 2-(azepan-1-yl)pyridin-3-amine contributes to the compound's overall conformational flexibility, which is a critical factor in drug design. Azepane derivatives are known for their ability to mimic the natural conformation of biological targets, thereby facilitating tighter binding and improved efficacy. This structural motif has been widely explored in the development of central nervous system (CNS) drugs, where precise molecular fitting is essential for therapeutic outcomes.

Recent advancements in computational chemistry have enabled more sophisticated modeling of 2-(azepan-1-yl)pyridin-3-amine, allowing researchers to predict its interactions with biological targets with greater accuracy. Studies indicate that the compound exhibits promising binding affinity to certain enzyme receptors, making it a candidate for further investigation in therapeutic applications such as neurodegenerative diseases and inflammatory disorders. The pyridine ring, a common pharmacophore in medicinal chemistry, further enhances the compound's potential by providing a hydrogen bond acceptor site that can interact with polar regions of biological targets.

In vitro studies have begun to unravel the pharmacological profile of 2-(azepan-1-yl)pyridin-3-amine, revealing its potential as an inhibitor of specific kinases and transcription factors. These kinases play pivotal roles in various cellular processes, including cell proliferation, differentiation, and apoptosis. By modulating their activity, 2-(azepan-1-yl)pyridin-3-amine could offer therapeutic benefits in conditions where dysregulation of these pathways is implicated.

The synthesis of 2-(azepan-1-yl)pyridin-3-amine presents unique challenges due to the complexity of its dual heterocyclic core. However, modern synthetic methodologies have made significant strides in optimizing production routes, ensuring high yields and purity. Advances in catalytic processes have enabled more efficient transformations, reducing the need for hazardous reagents and minimizing waste generation—a critical consideration in sustainable pharmaceutical development.

One particularly intriguing aspect of 2-(azepan-1-yl)pyridin-3-amine is its potential for derivatization. By introducing additional functional groups or modifying existing ones, researchers can fine-tune its pharmacological properties to target specific disease mechanisms. This flexibility underscores the compound's value as a scaffold for drug discovery programs aimed at addressing unmet medical needs.

The growing interest in 2-(azepan-1-yl)pyridin-3-amines is reflected in the increasing number of patents and publications detailing their synthesis and applications. Companies specializing in custom synthesis are increasingly offering tailored solutions for researchers seeking this compound or its derivatives for preclinical and clinical studies. This trend underscores the commercial viability and scientific relevance of molecules like 2-(azepan-1-yloxy)pyridinamides, which share structural similarities and may exhibit comparable biological activities.

As research progresses, collaborations between academic institutions and pharmaceutical companies will be crucial in translating laboratory findings into viable therapeutic agents. The interdisciplinary nature of modern drug discovery requires expertise from chemists, biologists, pharmacologists, and computational scientists to fully exploit the potential of compounds like 2-(azepanamino)pyridines.

The regulatory landscape for novel pharmaceuticals continues to evolve, emphasizing safety and efficacy through rigorous preclinical testing. compounds such as CAS No 94520 29 3 must undergo stringent evaluation before advancing to human trials. However, the promise they hold for addressing complex diseases makes their development a worthwhile endeavor.

In conclusion,(azepane 1 yl) pyridine 3 amine represents a compelling subject of study within chemical biology and pharmaceutical chemistry. Its unique structural features combined with emerging research findings position it as a valuable candidate for further exploration into new therapeutic modalities.

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