182921-00-2

Basic information

• Product Name: (2-oxoethyl)phenethylcarbamic acid t-butyl ester
• Synonyms: (2-oxoethyl)phenethylcarbamic acid t-butyl ester
• CAS NO: 182921-00-2
• Molecular Weight: 263.337
• Mol File: 182921-00-2.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: (2-oxoethyl)phenethylcarbamic acid t-butyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: (2-oxoethyl)phenethylcarbamic acid t-butyl ester(182921-00-2)
• EPA Substance Registry System: (2-oxoethyl)phenethylcarbamic acid t-butyl ester(182921-00-2)

Safety Data

• Hazardous Substances Data: 182921-00-2(Hazardous Substances Data)

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 
• 2842-37-7 2-(phenethylamino)ethanol 
• 122-78-1 phenylacetaldehyde 
• 949902-88-9 (2-hydroxyethyl)phenethylcarbamic acid t-butyl ester 
• 193818-10-9 (t-butoxycarbonylphenethylamino)acetic acid ethyl ester 
• 54608-35-4 N-phenethylglycine ethyl ester 
• 103-63-9 1-phenyl-2-bromoethane 

Downstream Products

• 145549-11-7 tert-butyl (R)-3-phenylpyrrolidine-1-carboxylate 

Relevant articles and documents

Discovery of Axelopran (TD-1211): A Peripherally Restricted μ-Opioid Receptor Antagonist

The effects of opioids in the central nervous system (CNS) provide significant benefit in the treatment of pain but can also lead to physical dependence and addiction, which has contributed to a growing opioid epidemic in the United States. Gastrointestinal dysfunction is an additional serious consequence of opioid use, and this can be treated with a localized drug distribution of a non-CNS penetrant, peripherally restricted opioid receptor antagonist. Herein, we describe the application of Theravance's multivalent approach to drug discovery coupled with a physicochemical property design strategy by which the N-substituted-endo-3-(8-aza-bicyclo[3.2.1]oct-3-yl)-phenyl carboxamide series of μ-opioid receptor antagonists was optimized to afford the orally absorbed, non-CNS penetrant, Phase 3 ready clinical compound axelopran (TD-1211) 19i as a potential treatment for opioid-induced constipation.

The discovery of new human coagulation factor XIa (FXIa) inhibitors by synthesis, biological evaluation, and structure-based modeling

Factor XIa (FXIa) is an enzyme that is activated during the earliest stage of initiation of the intrinsic pathway of the blood coagulation mechanism. In this study, we attempted to discover a new FXIa inhibitor based on structure-based molecular modeling. We found that compound 16 exhibits satisfactory predicted properties while maintaining important binding interactions with FX1a.

8-Azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists

The invention provides novel 8-azabicyclo[3.2.1]octane compounds of formula (I): wherein R1, R2, R3, A, and G are defined in the specification, or a pharmaceutically-acceptable salt or solvate thereof, that are antagonists at the mu opioid receptor. The invention also provides pharmaceutical compositions comprising such compounds, methods of using such compounds to treat conditions associated with mu opioid receptor activity, and processes and intermediates useful for preparing such compounds.