Cas no 295349-73-4 (6-(4-Methyl-1,4-diazepan-1-yl)pyridin-3-amine)

6-(4-Methyl-1,4-diazepan-1-yl)pyridin-3-amine is a heterocyclic compound featuring a pyridine core substituted with an amino group at the 3-position and a 4-methyl-1,4-diazepane moiety at the 6-position. This structure confers versatility in medicinal chemistry, particularly as a building block for drug discovery targeting central nervous system (CNS) disorders and receptor modulation. The diazepane ring enhances conformational flexibility, potentially improving binding affinity to biological targets. Its amine functionality allows for further derivatization, making it valuable in synthesizing pharmacologically active compounds. The compound's stability and synthetic accessibility further support its utility in research and development applications.
6-(4-Methyl-1,4-diazepan-1-yl)pyridin-3-amine structure
295349-73-4 structure
Product Name:6-(4-Methyl-1,4-diazepan-1-yl)pyridin-3-amine
CAS No:295349-73-4
MF:C11H18N4
MW:206.287421703339
CID:2144742
Update Time:2025-05-22

6-(4-Methyl-1,4-diazepan-1-yl)pyridin-3-amine Chemical and Physical Properties

Names and Identifiers

    • 5-amino-2-(4-methylhomopiperazin-1-yl)pyridine
    • YYWHTZQHQXNZLD-UHFFFAOYSA-N
    • 6(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine
    • 6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine
    • 6-(4-Methyl-1,4-diazepan-1-yl)pyridin-3-amine
    • Inchi: 1S/C11H18N4/c1-14-5-2-6-15(8-7-14)11-4-3-10(12)9-13-11/h3-4,9H,2,5-8,12H2,1H3
    • InChI Key: YYWHTZQHQXNZLD-UHFFFAOYSA-N
    • SMILES: N1(C2C=CC(=CN=2)N)CCN(C)CCC1

Computed Properties

  • Exact Mass: 206.153
  • Monoisotopic Mass: 206.153
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 197
  • 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
  • Topological Polar Surface Area: 45.4

6-(4-Methyl-1,4-diazepan-1-yl)pyridin-3-amine Pricemore >>

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Additional information on 6-(4-Methyl-1,4-diazepan-1-yl)pyridin-3-amine

6-(4-Methyl-1,4-diazepan-1-yl)pyridin-3-amine: A Comprehensive Overview

The compound 6-(4-Methyl-1,4-diazepan-1-yl)pyridin-3-amine, identified by the CAS number 29534973, is a fascinating molecule with significant potential in various fields of chemistry and pharmacology. This compound belongs to the class of pyridine derivatives, which are known for their versatile applications in drug design and material science. The structure of this compound features a pyridine ring substituted with an amino group at the 3-position and a 1,4-diazepane moiety at the 6-position. The presence of the methyl group on the diazepane ring adds further complexity and functional diversity to this molecule.

Recent studies have highlighted the importance of diazepane derivatives in medicinal chemistry due to their ability to form stable hydrogen bonds and their potential as bioisosteres. The integration of a pyridine ring into such a structure enhances the molecule's electronic properties, making it a promising candidate for various biological assays. Researchers have explored its potential as an inhibitor in enzyme-catalyzed reactions, particularly in the context of kinase inhibitors and protease inhibitors.

The synthesis of 6-(4-Methyl-1,4-diazepan-1-yl)pyridin-3-amine involves a multi-step process that combines principles from organic synthesis and heterocyclic chemistry. Key steps include the formation of the diazepane ring through cyclocondensation reactions and subsequent substitution reactions to introduce the pyridine moiety. The use of microwave-assisted synthesis has been reported to significantly reduce reaction times while maintaining high yields, which is a testament to the efficiency of modern synthetic techniques.

In terms of applications, this compound has shown promise in several areas. In pharmacology, it has been evaluated for its ability to modulate cellular signaling pathways, particularly those involving G-protein coupled receptors (GPCRs). Preclinical studies suggest that it may have potential as an antagonist or agonist in specific receptor systems, depending on its structural modifications. Additionally, its role as a building block in more complex molecular architectures has been explored, highlighting its utility in drug discovery programs.

The unique combination of a pyridine ring and a diazepane moiety in this compound provides a platform for further functionalization. Researchers have investigated substituent effects on its physicochemical properties, such as solubility, lipophilicity, and permeability across biological membranes. These studies are crucial for optimizing drug-like properties and ensuring that the compound can be effectively utilized in therapeutic applications.

Recent advancements in computational chemistry have enabled detailed modeling of this compound's interactions with biological targets. Molecular docking studies have provided insights into its binding modes within protein cavities, which is essential for understanding its mechanism of action. Furthermore, quantum mechanical calculations have shed light on its electronic structure and reactivity patterns, aiding in the design of more potent analogs.

In conclusion, 6-(4-Methyl-1,4-diazepan-1-yl)pyridin-3-amie represents a valuable addition to the arsenal of chemical entities being explored for therapeutic purposes. Its unique structure, combined with advancements in synthetic methods and computational tools, positions it as a key player in future research endeavors. As ongoing studies continue to unravel its full potential, this compound is poised to make significant contributions to both academic research and industrial applications.

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