(S)-3-((S)-2-(2-(2-tert-butylphenylamino)-2-oxoacetamido)propanamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
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(S)-3-((S)-2-(2-(2-tert-butylphenylamino)-2-oxoacetamido)propanamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
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CAS No:
254750-02-2
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Formula:
C26H27F4N3O7
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Chemical Name:
(S)-3-((S)-2-(2-(2-tert-butylphenylamino)-2-oxoacetamido)propanamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
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Synonyms:
PF 03491390;IDN 6556;(3S)-3-[(N-{[(2-tert-butylphenyl)amino](oxo)acetyl}-L-alanyl)amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid;(S)-3-((S)-2-(2-(2-tert-butylphenylaMino)-2-oxoacetaMido)propana;EMricasan;N-[2-(tert-butyl)phenyl]-2-oxoglycyl-N-[(1S)-1-(carboxymethyl)-2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl]-L-alaninamide;(S)-3-((S)-2-(2-((2-(tert-Butyl)phenyl)amino)-2-oxoacetamido)propanamido)-4-oxo-5-(2,3,5,6-tetraf;EMricasan (S)-3-((S)-2-(2-(2-tert-butylphenylamino)-2-oxoacetamido)propanamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
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CAS No:
Description
Emricasan (PF 03491390) is an irreversible pan-caspase inhibitor.
Emricasan is the first caspase inhibitor tested in human which has received orphan drug status by FDA. It is developed by Pfizer and made in such a way that it protects liver cells from excessive apoptosis.
(S)-3-((S)-2-(2-(2-tert-butylphenylamino)-2-oxoacetamido)propanamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid Basic Attributes
569.51
569.50
P0GMS9N47Q
DTXSID10180160
white to beige
Drug Information
Investigated for use/treatment in hepatitis (viral, C), liver disease, and transplantation (organ or tissue).|Treatment of non-alcoholic steatohepatitis (NASH)
IDN-6556 significantly improves markers of liver damage in patients infected with the Hepatitis C virus (HCV), an infection that affects up to 170m patients worldwide. IDN-6556 represents a new class of drugs that protect the liver from inflammation and cellular damage induced by viral infections and other causes. Various studies have also shown that it significantly lowers aminotransferase activity in HCV patients and appeared to be well tolerated.
3-(2-(2-tert-butylphenylaminooxalyl)aminopropionylamino)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
(S)-3-((S)-2-(2-(2-tert-butylphenylamino)-2-oxoacetamido)propanamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid Use and Manufacturing
Emricasan is an irreversible pan-caspase inhibitor that hinders caspase-mediated apoptosis and inflammation.In addition, Emricasan may reduce hepatic injury and liver fibrosis.
Human Drugs -> EU pediatric investigation plans
Computed Properties
Molecular Weight:569.5
XLogP3:3.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:11
Exact Mass:569.17851286
Monoisotopic Mass:569.17851286
Topological Polar Surface Area:151
Heavy Atom Count:40
Complexity:934
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(S)-3-((S)-2-(2-(2-tert-butylphenylamino)-2-oxoacetamido)propanamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
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