628318-81-0

Basic information

• Product Name: N-{(S)-1-[(2R,3S,7S,10S,13S)-3-Benzyloxycarbonylamino-7-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-10-isobutyl-2-methyl-4,9,12,15-tetraoxo-1-oxa-5,11-diaza-cyclopentadec-13-ylcarbamoyl]-2-methyl-propyl}-succinamic acid
• Synonyms: N-{(S)-1-[(2R,3S,7S,10S,13S)-3-Benzyloxycarbonylamino-7-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-10-isobutyl-2-methyl-4,9,12,15-tetraoxo-1-oxa-5,11-diaza-cyclopentadec-13-ylcarbamoyl]-2-methyl-propyl}-succinamic acid
• CAS NO: 628318-81-0
• Molecular Weight: 859.974
• Mol File: 628318-81-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: N-{(S)-1-[(2R,3S,7S,10S,13S)-3-Benzyloxycarbonylamino-7-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-10-isobutyl-2-methyl-4,9,12,15-tetraoxo-1-oxa-5,11-diaza-cyclopentadec-13-ylcarbamoyl]-2-methyl-propyl}-succinamic acid(CAS DataBase Reference)
• NIST Chemistry Reference: N-{(S)-1-[(2R,3S,7S,10S,13S)-3-Benzyloxycarbonylamino-7-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-10-isobutyl-2-methyl-4,9,12,15-tetraoxo-1-oxa-5,11-diaza-cyclopentadec-13-ylcarbamoyl]-2-methyl-propyl}-succinamic acid(628318-81-0)
• EPA Substance Registry System: N-{(S)-1-[(2R,3S,7S,10S,13S)-3-Benzyloxycarbonylamino-7-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-10-isobutyl-2-methyl-4,9,12,15-tetraoxo-1-oxa-5,11-diaza-cyclopentadec-13-ylcarbamoyl]-2-methyl-propyl}-succinamic acid(628318-81-0)

Safety Data

• Hazardous Substances Data: 628318-81-0(Hazardous Substances Data)

Upstream product

• 630046-94-5 methyl (2SR,5S)-5-[N-(tert-butoxycarbonyl)amino]-2-cyano-7-methyl-4-oxooctanoate 
• 628318-91-2 N-[(2SR,5S)-2-[O-[(3S)-3-(N-allyloxycarbonylamino)-4-(tert-butoxycarbonyl)butanoyl]-N-benzyloxycarbonylamino-L-threonylaminomethyl]-5-[N-(tert-butoxycarbonyl)amino]-7-methyl-4-oxo-octanoyl]-L-leucinamide 
• 628318-93-4 (2S,5S,9S,10R,14S)-14-N-allyloxycarbonylamino-9-N-carbobenzyloxyamino-5-((1S-1-carbamoyl-3-methylbutyl)aminocarbonyl)-10-methyl-2-(2-methylpropyl)-11-oxa-1,7-diazacyclopentadecan-3,8,12,15-tetraone 
• 628318-89-8 N-[(2SR,5S)-2-[N-benzyloxycarbonylamino-O-(tert-butyldimethylsiloxy)-L-threonylaminomethyl]-5-[N-(tert-butoxycarbonyl)amino]-4-oxo-7-methyloctanoyl]-L-leucinamide 
• 628318-88-7 N-[(2SR,4RS,5S)-2-[N-benzyloxycarbonylamino-O-(tert-butyldimethylsiloxy)-L-threonylaminomethyl]-5-[N-(tert-butoxycarbonyl)amino]-4-hydroxy-7-methyloctanoyl]-L-leucinamide 
• 628318-90-1 N-[(2SR,5S)-2-[N-benzyloxycarbonylamino-L-threonylaminomethyl]-5-[N-(tert-butoxycarbonyl)amino]-4-oxo-7-methyloctanoyl]-L-leucinamide 
• 628318-86-5 N-[(2SR,4RS,5S)-5-[N-(tert-butoxycarbonyl)amino]-2-cyano-4-hydroxy-7-methyloctanoyl]-L-leucinamide 
• 628318-85-4 (2SR,4RS,5S)-5-[N-(tert-butoxycarbonyl)amino]-2-cyano-7-methyl-1,4-octanolactone 
• 52716-49-1 N-((3S)-1-bromo-2-oxo-5-methyl-3-hexyl)-t-butoxycarboxamide 
• 10466-61-2 (2S)-amino-4-methylpentanamide hydrochloride 
• 13734-41-3 t-Boc-L-valine 
• 108-30-5 succinic acid anhydride 

Relevant articles and documents

Synthesis and Evaluation of Macrocyclic Transition State Analogue Inhibitors for α-Chymotrypsin

Lactams 1 and 2 are readily formed from acyclic precursors in the presence of trypsin and chymotrypsin, respectively, identifying the macrocyclic ring system as a potential motif for constrained transition state analogue inhibitors of the serine peptidases. Ketone 3 was synthesized and shown to be a modest inhibitor of chymotrypsin (Ki = 220 μM), albeit 4-fold more potent than the acyclic hydroxy acid 25 (Ki = 1.5 mM as a mixture of epimers). A precursor (31) to the amino boronic acid 4 was also prepared; although this derivative was a potent inhibitor of chymotrypsin (Ki = 130 nM) by virtue of the boronic acid moiety, it showed no advantage over the des-amino analogue 32 (Ki = 120 nM), which is not capable of cyclizing.