955114-24-6

Basic information

• Product Name: (3R)-hexahydro-3-[(phenylMethyl)aMino]-2H-azepin-2-one
• Synonyms: (3R)-hexahydro-3-[(phenylMethyl)aMino]-2H-azepin-2-one;(R)-3-(benzylamino)azepan-2-one
• CAS NO: 955114-24-6
• Molecular Formula: C13H18N2O
• Molecular Weight: 218.29482
• EINECS: 1533716-785-6
• Mol File: 955114-24-6.mol

Chemical Properties

• Boiling Point: 420.8±38.0 °C (760 mmHg)
• Appearance: /
• Density: 1.09±0.1 g/cm3 (20 °C, 760 mmHg)
• CAS DataBase Reference: (3R)-hexahydro-3-[(phenylMethyl)aMino]-2H-azepin-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: (3R)-hexahydro-3-[(phenylMethyl)aMino]-2H-azepin-2-one(955114-24-6)
• EPA Substance Registry System: (3R)-hexahydro-3-[(phenylMethyl)aMino]-2H-azepin-2-one(955114-24-6)

Safety Data

• Hazardous Substances Data: 955114-24-6(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
(3R)-hexahydro-3-[(phenylmethyl)amino]-2H-azepin-2-one is used as a potential pharmaceutical compound for its unique structural features, which may contribute to novel therapeutic effects. The presence of the phenylmethylamine moiety and the heterocyclic ring system could offer specific binding affinities or interactions with biological targets, making it a candidate for the development of new drugs.
Used in Chemical Research:
In the field of chemical research, (3R)-hexahydro-3-[(phenylmethyl)amino]-2H-azepin-2-one serves as a subject for studying the effects of chirality on compound properties and reactivity. Its enantiomeric forms (3R and 3S) provide an opportunity to explore the differences in biological activity, which is crucial for understanding the stereoselectivity of drug action and development.
Used in Material Science:
(3R)-hexahydro-3-[(phenylmethyl)amino]-2H-azepin-2-one may also find applications in material science, where its heterocyclic structure and functional groups could be utilized in the design of new materials with specific properties, such as sensors, catalysts, or advanced polymers. The exploration of its potential in this field would require interdisciplinary research and collaboration between chemists and material scientists.

Upstream product

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Relevant articles and documents

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A screening assay program on HIV-protease was carried out on more than fifty commercially available N-protected amino acids and has revealed that those with a long side chain such as lysine, ornithine and arginine exhibited significant inhibition of HIV protease enzyme. The presence of an Fmoc group was found to be essential to obtain micromolar inhibitors and the addition of an alkyl group at the Nα-position resulted in the discovery of the lead compound 11 displaying a 5 nM inhibition constant. Although this new inhibitor series is not categorized among those mimicking the substrate with a non-hydrolyzable transition-state isoster, it was found very specific to inhibit HIV protease enzyme in comparison to the mammalian aspartyl proteases pepsin, renin and cathepsin. Furthermore, these inhibitors did not show any cytotoxicity at a concentration below 75 μM.