N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide
[CAS# 137973-76-3]

Identification

• Classification: Organic raw materials >> Amino compound >> Amide compound
• Name: N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide
• Molecular Formula: C₂₆H₂₃ClN₂O₃
• Molecular Weight: 446.93
• CAS Registry Number: 137973-76-3
• SMILES: CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(=O)C4=C3C=CC(=C4)Cl)C

Properties

• Density: 1.307

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H302-H315-H319
• Safety Statements: P261-P305+P351+P338

Discovery and Applications

N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide, a synthetic compound, was discovered during research into developing novel small-molecule inhibitors targeting protein-protein interactions in cellular signaling pathways. Researchers focused on integrating the benzazepine and benzamide moieties to create a structure capable of modulating specific biological targets. The compound emerged through a series of rational drug design and optimization processes, including molecular modeling and structure-activity relationship (SAR) studies. Its design aimed to provide a new chemical entity with potential therapeutic applications, particularly in diseases involving dysregulated cellular signaling and protein interactions.

The compound's structure makes it a candidate for inhibiting protein-protein interactions involved in cancer cell proliferation and survival. It may target signaling pathways crucial for cancer cell growth, such as those involving kinases or transcription factors, leading to the development of novel anticancer therapies. Its ability to interfere with cellular signaling can contribute to apoptosis (programmed cell death) and inhibit tumor growth. It may be explored as an anti-inflammatory agent by modulating signaling pathways involved in inflammation. Inhibiting protein interactions in pathways like NF-?B or cytokine signaling can reduce inflammation and provide therapeutic benefits in diseases such as rheumatoid arthritis, inflammatory bowel disease, and psoriasis. The compound might be useful in treating neurological disorders by targeting specific proteins associated with neurodegenerative diseases. Its ability to interfere with protein aggregation or modulate neuroinflammatory pathways could offer therapeutic potential in conditions like Alzheimer's and Parkinson's diseases.

In biomedical research, the compound can serve as a tool to study protein-protein interactions and cellular signaling pathways. It can be used to dissect the roles of specific proteins in cellular processes and understand the mechanisms underlying various diseases, providing insights for developing new therapeutic strategies. The compound can be employed in target validation studies to confirm the involvement of specific proteins in disease processes. By selectively inhibiting or modulating these proteins, researchers can evaluate their potential as therapeutic targets and develop corresponding drugs. It may be integrated into the drug development pipeline as a lead compound for optimizing pharmacokinetic and pharmacodynamic properties. Its structure provides a basis for designing derivatives with improved efficacy, selectivity, and safety profiles for clinical applications.

The compound can be investigated as an enzyme inhibitor in various biochemical assays. Its potential to interact with active sites or allosteric sites of enzymes can provide insights into enzyme regulation and aid in the development of enzyme-targeted therapies. In research, the compound can be used as a probe to study biomolecular interactions and signaling pathways. Its ability to bind specific proteins can help identify and characterize protein networks and interactions critical for cellular functions.

The compound is suitable for preclinical studies to evaluate its efficacy and safety in animal models of diseases. These studies can provide valuable data on its therapeutic potential and guide the design of clinical trials for human applications. With further optimization and validation, the compound can progress to clinical trials as a candidate for treating diseases involving dysregulated protein interactions, providing a new approach to therapeutic intervention in various pathological conditions.

References

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