951174-17-7

Basic information

• Product Name: tert-butyl (3S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-5-methyl-hexanoate
• CAS NO: 951174-17-7
• Molecular Formula: C₂₆H₃₇NO₂
• Molecular Weight: 395.5775
• Mol File: 951174-17-7.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 465.804°C at 760 mmHg
• Flash Point: 115.576°C
• Density: 1.006g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.529
• CAS DataBase Reference: tert-butyl (3S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-5-methyl-hexanoate(CAS DataBase Reference)
• NIST Chemistry Reference: tert-butyl (3S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-5-methyl-hexanoate(951174-17-7)
• EPA Substance Registry System: tert-butyl (3S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-5-methyl-hexanoate(951174-17-7)

Safety Data

• Hazardous Substances Data: 951174-17-7(Hazardous Substances Data)

Upstream product

• 86302-43-4 (tert-Butoxycarbonylmethylene)triphenylphosphorane 
• 17480-69-2 (S)-N-benzyl-1-phenylethylamine 
• 27784-76-5 tert-butyl diethylphosphonoacetate 
• 138877-97-1 tert-butyl (E)-5-methyl-hex-2-enoate 
• 590-86-3 isovaleraldehyde 

Downstream Products

• 166023-30-9 1,1-dimethylethyl (3S)-3-amino-5-methylhexanoate 
• 759415-90-2 (S)-3-amino-5-methylhexan-1-ol 
• 22818-43-5 (S)-3-amino-5-methylhexanoic acid 

Relevant articles and documents

Novel Pyrimidine Toll-like Receptor 7 and 8 Dual Agonists to Treat Hepatitis B Virus

Toll-like receptor (TLR) 7 and 8 agonists can potentially be used in the treatment of viral infections and are particularly promising for chronic hepatitis B virus (HBV) infection. An internal screening effort identified a pyrimidine Toll-like receptor 7 and 8 dual agonist. This provided a novel alternative over the previously reported adenine and pteridone type of agonists. Structure-activity relationship, lead optimization, in silico docking, pharmacokinetics, and demonstration of ex vivo and in vivo cytokine production of the lead compound are presented.