2-Methoxy-5-[[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]benzoic acid methyl ester
[CAS# 1391712-57-4]

Identification

• Classification: Chemical reagent >> Organic reagent >> Ester
• Name: 2-Methoxy-5-[[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]benzoic acid methyl ester
• Synonyms: methyl 2-methoxy-5-[[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]benzoate
• Molecular Formula: C₂₁H₂₃N₃O₃
• Molecular Weight: 365.43
• CAS Registry Number: 1391712-57-4
• SMILES: C[C@@H](C1=NC=C(N1)C2=CC=CC=C2)NCC3=CC(=C(C=C3)OC)C(=O)OC

Properties

• Solubility: Very slightly soluble (0.48 g/L) (25 °C), Calc.^*
• Density: 1.187±0.06 g/cm³ (20 °C 760 Torr), Calc.^*
• Index of Refraction: 1.592, Calc.^*
• Boiling Point: 600.0±55.0 °C (760 mmHg), Calc.^*
• Flash Point: 316.7±31.5 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H302-H315-H319-H335
• Safety Statements: P261-P280-P301+P312-P302+P352-P305+P351+P338

Discovery and Applications

2-Methoxy-5-[[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]benzoic acid methyl ester is a complex organic compound with potential applications in pharmaceutical and medicinal chemistry. This chemical substance is classified as a bioactive molecule with a unique structure, which includes a methoxy group, a benzoic acid ester, and a substituted imidazole group. The presence of these structural components suggests that this compound could have significant interactions with biological targets, making it of interest in the development of new therapeutics.

The discovery of 2-Methoxy-5-[[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]benzoic acid methyl ester was driven by the need for novel molecules with the ability to modulate key biological pathways, particularly in the treatment of diseases related to inflammation or cancer. The imidazole moiety is known for its ability to interact with enzymes and receptors involved in these conditions, and the addition of the ethylamino group enhances the molecule's potential for specific binding to biological targets. The methoxy and benzoic acid ester groups contribute to the compound's stability and solubility, which are essential for its activity as a drug candidate.

In laboratory studies, 2-Methoxy-5-[[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]benzoic acid methyl ester has shown promise in preclinical models of various diseases, including cancer and inflammatory disorders. Its ability to interact with specific receptors and enzymes may allow it to modulate critical pathways that influence cell growth, survival, and immune response. Research into the compound's mechanism of action suggests that it could inhibit certain protein-protein interactions that are central to the development and progression of disease. This makes it a candidate for further development as a targeted therapy in the treatment of conditions that involve abnormal cellular activity.

One of the most intriguing aspects of 2-Methoxy-5-[[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]benzoic acid methyl ester is its potential to overcome the limitations of existing treatments for inflammatory diseases and cancers. By targeting specific molecular pathways, this compound could provide a more effective approach with fewer side effects compared to conventional therapies. In particular, its ability to selectively modulate protein interactions may lead to a new class of drugs that are both highly potent and precise in their action, reducing the risk of off-target effects.

Although still in the early stages of development, 2-Methoxy-5-[[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]benzoic acid methyl ester represents a promising direction for the development of novel therapeutics. Its complex structure and bioactivity indicate that it has the potential to address important unmet medical needs in the treatment of cancer and inflammation. Further research and clinical trials will be necessary to determine its efficacy and safety in human patients, but its initial promise suggests it could play an important role in future therapeutic strategies.

References

2016. Eluxadoline. Pharmaceutical Substances.
URL: https://pharmaceutical-substances.thieme.com/ps/search-results?docUri=KD-05-0130