1563182-77-3

Basic information

• Product Name: 2-((S)-2-((R)-2-(3,4-dichlorophenyl)-4-(6-fluoro-1-methyl-2-oxo-1,2-dihydrospiro[benzo[d][1,3]oxazine-4,4'-piperidine]-1'-yl)-N-methylbutanamido)-3-phenylpropanamido)ethylcarbamic acid benzyl ester
• Synonyms: 2-((S)-2-((R)-2-(3,4-dichlorophenyl)-4-(6-fluoro-1-methyl-2-oxo-1,2-dihydrospiro[benzo[d][1,3]oxazine-4,4'-piperidine]-1'-yl)-N-methylbutanamido)-3-phenylpropanamido)ethylcarbamic acid benzyl ester
• CAS NO: 1563182-77-3
• Molecular Weight: 818.773
• Mol File: 1563182-77-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2-((S)-2-((R)-2-(3,4-dichlorophenyl)-4-(6-fluoro-1-methyl-2-oxo-1,2-dihydrospiro[benzo[d][1,3]oxazine-4,4'-piperidine]-1'-yl)-N-methylbutanamido)-3-phenylpropanamido)ethylcarbamic acid benzyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 2-((S)-2-((R)-2-(3,4-dichlorophenyl)-4-(6-fluoro-1-methyl-2-oxo-1,2-dihydrospiro[benzo[d][1,3]oxazine-4,4'-piperidine]-1'-yl)-N-methylbutanamido)-3-phenylpropanamido)ethylcarbamic acid benzyl ester(1563182-77-3)
• EPA Substance Registry System: 2-((S)-2-((R)-2-(3,4-dichlorophenyl)-4-(6-fluoro-1-methyl-2-oxo-1,2-dihydrospiro[benzo[d][1,3]oxazine-4,4'-piperidine]-1'-yl)-N-methylbutanamido)-3-phenylpropanamido)ethylcarbamic acid benzyl ester(1563182-77-3)

Safety Data

• Hazardous Substances Data: 1563182-77-3(Hazardous Substances Data)

Upstream product

• 1563182-65-9 2-((S)-2-((R)-2-(3,4-dichlorophenyl)-N-methylpent-4-enamido)-3-phenylpropanamido)ethyl carbamic acid benzyl ester 
• 1563182-64-8 (S)-benzyl 2-(2-(methylamino)-3-phenylpropanamido)ethylcarbamate 
• 1563182-63-7 (S)-tert-butyl (1-((2-(((benzyloxy)carbonyl)amino)ethyl)amino)-1-oxo-3-phenylpropan-2-yl)(methyl)carbamate 
• 37553-65-4 Boc-N-Me-Phe-OH 
• 72080-83-2 2-benzyloxycarbonylaminoethylamine 
• 2566-30-5 N-Methyl-L-phenylalanine 
• 501-53-1 benzyl chloroformate 
• 1036926-64-3 6-fluoro-1-methylspiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one 
• 1563182-67-1 2-((S)-2-((R)-2-(3,4-dichlorophenyl)-N-methylpent-4-oxobutanamido)-3-phenylpropanamido)ethylcarbamic acid benzyl ester 
• 345938-08-1 4’-(tert-butoxycarbonyl)-6-fluoro-spiro[4H-3,1-benzoxazine-4,4’-piperidin]-2(1H)-one 
• 79333-48-5 2-(S)-(3,4-dichloro-phenyl)-4-pentenoic acid 
• 79099-07-3 N-tert-butyloxycarbonylpiperidin-4-one 
• 60144-53-8 N-(tert-butoxycarbonyl)-4-fluoroaniline 
• 2899-07-2 (S)-N-benzyloxycarbonyl-N-methyl-phenyl alanine 

Relevant articles and documents

Design, synthesis, and optimization of balanced dual NK1/NK 3 receptor antagonists

In connection with a program directed at potent and balanced dual NK 1/NK3 receptor ligands, a focused exploration of an original class of peptidomimetic derivatives was performed. The rational design and molecular hybridization of a novel phenylalanine core series was achieved to maximize the in vitro affinity and antagonism at both human NK1 and NK3 receptors. This study led to the identification of a new potent dual NK1/NK3 antagonist with pKi values of 8.6 and 8.1, respectively.