868565-57-5

Basic information

• Product Name: Pentanoic acid, 4-oxo-3-[[(2S)-1-oxo-2-[[(phenylMethoxy)carbonyl]aMino]propyl]aMino]-5-(2,3,5,6-tetrafluorophenoxy)-, 1,1-diMethylethyl ester, (3S)-
• Synonyms: Pentanoic acid, 4-oxo-3-[[(2S)-1-oxo-2-[[(phenylMethoxy)carbonyl]aMino]propyl]aMino]-5-(2,3,5,6-tetrafluorophenoxy)-, 1,1-diMethylethyl ester, (3S)-;(S)-tert-butyl 3-((S)-2-(((benzyloxy)carbonyl)amino)propanamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoate
• CAS NO: 868565-57-5
• Molecular Formula: C₂₆H₂₈F₄N₂O₇
• Molecular Weight: 556.5033328
• Mol File: 868565-57-5.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Pentanoic acid, 4-oxo-3-[[(2S)-1-oxo-2-[[(phenylMethoxy)carbonyl]aMino]propyl]aMino]-5-(2,3,5,6-tetrafluorophenoxy)-, 1,1-diMethylethyl ester, (3S)-(CAS DataBase Reference)
• NIST Chemistry Reference: Pentanoic acid, 4-oxo-3-[[(2S)-1-oxo-2-[[(phenylMethoxy)carbonyl]aMino]propyl]aMino]-5-(2,3,5,6-tetrafluorophenoxy)-, 1,1-diMethylethyl ester, (3S)-(868565-57-5)
• EPA Substance Registry System: Pentanoic acid, 4-oxo-3-[[(2S)-1-oxo-2-[[(phenylMethoxy)carbonyl]aMino]propyl]aMino]-5-(2,3,5,6-tetrafluorophenoxy)-, 1,1-diMethylethyl ester, (3S)-(868565-57-5)

Safety Data

• Hazardous Substances Data: 868565-57-5(Hazardous Substances Data)

Upstream product

• 3401-36-3 (N-benzyloxycarbonyl)-L-alanine N-hydroxysuccinimide ester 
• 3408-50-2 [(N-benzyloxycarbonyl)-L-alaninyl]-L-aspartic acid [beta]-tert-butyl ester 
• 3057-74-7 L-Asp(t-Bu) 

Downstream Products

• 254750-83-9 (3S)-3-[N-(N′-(2-tert-butylphenyl)oxamyl)alaninyl]amino-5-(2′,3′,5′,6′-tetrafluorophenoxy)-4-oxopentanoic acid tert-butyl ester 
• 254750-82-8 (3S)-3-[N-(N′-(2-tert-butylphenyl)oxamyl)alaninyl]amino-5-(2′,3′,5′,6′-tetrafluorophenoxy)-4-hydroxypentanoic acid tert-butyl ester 

Relevant articles and documents

METHODS OF USING CASPASE INHIBITORS IN TREATMENT OF LIVER DISEASE

Provided herein are methods and compositions for treatment of an elevated MELD score or Child-Pugh score or their components by administering a of a caspase inhibitor alone or in combination with current treatments for liver disease.

First-in-class pan caspase inhibitor developed for the treatment of liver disease

A series of oxamyl dipeptides were optimized for pan caspase inhibition, anti-apoptotic cellular activity and in vivo efficacy. This structure-activity relationship study focused on the P4 oxamides and warhead moieties. Primarily on the basis of in vitro data, inhibitors were selected for study in a murine model of α-Fas-induced liver injury. IDN-6556 (1) was further profiled in additional in vivo models and pharmacokinetic studies. This first-in-class caspase inhibitor is now the subject of two Phase II clinical trials, evaluating its safety and efficacy for use in liver disease.