sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Emricasan

Emricasan

CAS No.:
254750-02-2
Catalog Number:
AG00C4SZ
Molecular Formula:
C26H27F4N3O7
Molecular Weight:
569.5021
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$103
- +
5mg
≥95%
1 week
United States
$179
- +
10mg
≥95%
1 week
United States
$286
- +
Product Description
Catalog Number:
AG00C4SZ
Chemical Name:
Emricasan
CAS Number:
254750-02-2
Molecular Formula:
C26H27F4N3O7
Molecular Weight:
569.5021
MDL Number:
MFCD11840420
IUPAC Name:
(3S)-3-[[(2S)-2-[[2-(2-tert-butylanilino)-2-oxoacetyl]amino]propanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
InChI:
InChI=1S/C26H27F4N3O7/c1-12(31-24(38)25(39)32-16-8-6-5-7-13(16)26(2,3)4)23(37)33-17(10-19(35)36)18(34)11-40-22-20(29)14(27)9-15(28)21(22)30/h5-9,12,17H,10-11H2,1-4H3,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/t12-,17-/m0/s1
InChI Key:
SCVHJVCATBPIHN-SJCJKPOMSA-N
SMILES:
OC(=O)C[C@@H](C(=O)COc1c(F)c(F)cc(c1F)F)NC(=O)[C@@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C
UNII:
P0GMS9N47Q
Properties
Complexity:
934  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
569.179g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
569.51g/mol
Monoisotopic Mass:
569.179g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
Identification of small-molecule inhibitors of Zika virus infection and induced neural cell death via a drug repurposing screen. Nature medicine 20161001
Caspase inhibitor IDN6556 facilitates marginal mass islet engraftment in a porcine islet autotransplant model. Transplantation 20120715
Synthesis and evaluation of novel prodrugs of caspase inhibitors. Bioorganic & medicinal chemistry letters 20120101
The caspase inhibitor IDN-6556 (PF3491390) improves marginal mass engraftment after islet transplantation in mice. Surgery 20110701
Clinical trial: the efficacy and safety of oral PF-03491390, a pancaspase inhibitor - a randomized placebo-controlled study in patients with chronic hepatitis C. Alimentary pharmacology & therapeutics 20100501
Orally-administered caspase inhibitor PF-03491390 is retained in the liver for prolonged periods with low systemic exposure, exerting a hepatoprotective effect against alpha-fas-induced liver injury in a mouse model. Journal of pharmacological sciences 20071001
Oral IDN-6556, an antiapoptotic caspase inhibitor, may lower aminotransferase activity in patients with chronic hepatitis C. Hepatology (Baltimore, Md.) 20070801
A caspase inhibitor, IDN-6556, ameliorates early hepatic injury in an ex vivo rat model of warm and cold ischemia. Liver transplantation : official publication of the American Association for the Study of Liver Diseases and the International Liver Transplantation Society 20070301
New therapies: oral inhibitors and immune modulators. Clinics in liver disease 20061101
Thiol proteases: inhibitors and potential therapeutic targets. Current medicinal chemistry 20060101
First-in-class pan caspase inhibitor developed for the treatment of liver disease. Journal of medicinal chemistry 20051103
Characterization of IDN-6556 (3-[2-(2-tert-butyl-phenylaminooxalyl)-amino]-propionylamino]-4-oxo-5-(2,3,5,6-tetrafluoro-phenoxy)-pentanoic acid): a liver-targeted caspase inhibitor. The Journal of pharmacology and experimental therapeutics 20040501
Properties