175028-04-3

Basic information

• Product Name: [(3S,4R)-1-Benzyl-4-(3-trifluoromethyl-phenyl)-pyrrolidin-3-yl]-((1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ⁶-thia-4-aza-tricyclo[5.2.1.0^1,5]dec-4-yl)-methanone
• CAS NO: 175028-04-3
• Molecular Weight: 546.654
• Mol File: 175028-04-3.mol

Chemical Properties

• CAS DataBase Reference: [(3S,4R)-1-Benzyl-4-(3-trifluoromethyl-phenyl)-pyrrolidin-3-yl]-((1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ⁶-thia-4-aza-tricyclo[5.2.1.0^1,5]dec-4-yl)-methanone(CAS DataBase Reference)
• NIST Chemistry Reference: [(3S,4R)-1-Benzyl-4-(3-trifluoromethyl-phenyl)-pyrrolidin-3-yl]-((1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ⁶-thia-4-aza-tricyclo[5.2.1.0^1,5]dec-4-yl)-methanone(175028-04-3)
• EPA Substance Registry System: [(3S,4R)-1-Benzyl-4-(3-trifluoromethyl-phenyl)-pyrrolidin-3-yl]-((1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ⁶-thia-4-aza-tricyclo[5.2.1.0^1,5]dec-4-yl)-methanone(175028-04-3)

Safety Data

• Hazardous Substances Data: 175028-04-3(Hazardous Substances Data)

Upstream product

• 93102-05-7 N-benzyl-N-(methoxymethyl)-N-[(trimethylsilyl)methyl]amine 
• 175028-03-2 (E)-1-((1S,5R,7R)-10,10-Dimethyl-3,3-dioxo-3λ⁶-thia-4-aza-tricyclo[5.2.1.0^1,5]dec-4-yl)-3-(3-trifluoromethyl-phenyl)-propenone 
• 94594-90-8 (2R)-bornane-10,2-sultam 
• 60689-14-7 trans-3-(trifluoromethyl)cinnamoyl chloride 

Downstream Products

• 175272-69-2 (3S,4R)-4-(3-Trifluoromethyl-phenyl)-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 

Relevant articles and documents

Design and synthesis of ring-constrained boropeptide thrombin inhibitors

Ring-constrained boropeptide thrombin inhibitors were designed using information from the X-ray crystal structure of 1 (3-phenylpropionyl-Pro-boroLys-OH · HCl) bound to thrombin. The constraints utilized cyclohexane and pyrrolidine rings to preorganize an aromatic ring in an orientation allowing optimum edge-to-face interaction with the tryptophan 215 side chain located in the S3 specificity pocket of thrombin.