CAS 816444-90-3

(1R,2S,5S)-3-[(S)-2-(3-Tert-butyl-ureido)-3,3-dimethyl-butyryl]-6,6-dimethyl-3-aza-bicyclo[3.1.0]hexane-2-carboxylic acid

Description:

The chemical substance known as "(1R,2S,5S)-3-[(S)-2-(3-Tert-butyl-ureido)-3,3-dimethyl-butyryl]-6,6-dimethyl-3-aza-bicyclo[3.1.0]hexane-2-carboxylic acid" with CAS number 816444-90-3 is characterized by its complex bicyclic structure, which includes a nitrogen atom in the ring, indicating it is an aza compound. The presence of multiple chiral centers contributes to its stereochemistry, which is crucial for its biological activity and interaction with biological targets. The tert-butyl and dimethyl groups suggest that the molecule has significant steric bulk, potentially influencing its solubility and reactivity. Additionally, the carboxylic acid functional group indicates that it can participate in acid-base reactions and may play a role in binding interactions in biological systems. This compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its unique structural features and potential biological activity. Its specific properties, such as solubility, melting point, and reactivity, would need to be determined experimentally.

Formula: C₁₉H₃₃N₃O₄

Synonyms:

• 3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 3-[(2S)-2-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-
• (1R,2S,5S)-3-[(2S)-2-[[[(1,1-Dimethylethyl)Amino]Carbonyl]Amino]-3,3-Dimethyl-1-Oxobutyl]-6,6-Dimethyl-3-Azabicyclo[3.1.0]Hexane-2-Carboxylic Acid

Boceprevir Metabolite M4

Controlled Product

CAS: 816444-90-3

Applications A metabolite of the Hepatitis C virus NS3 serine protease inhibitor Boceprevir (B675500). It is a COVID19-related research product.
References Venkatraman, S. et al.: J. Med. Chem., 49, 6074 (2006); Morgan, A.J, et al.: J. Lab. Cpd. Radiopharmac., 54, 613 (2011);

Formula: C₁₉H₃₃N₃O₄

Color and Shape: Neat

Molecular weight: 367.48

Ref: TR-B674520

Boceprevir Metabolite M4

CAS: 816444-90-3

Formula: C₁₉H₃₃N₃O₄

Molecular weight: 367.48

Ref: ST-EA-CP-B204008