Emricasan

Category	Influenza Virus
CAS	254750-02-2
Description	Emricasan is a pan-caspase inhibitor with antiapoptotic and antiinflammatory activity. It was shown that emricasan decreased caspase activity, serum alanine aminotransferase (ALT), and hepatic fibrogenesis in a murine model of non-alcoholic steatohepatitis. Emricasan has been granted fast track designation by the FDA for the treatment of non-alcoholic steatohepatitis cirrhosis.

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Product Information

Synonyms	IDN-6556; IDN6556; IDN 6556; PF 03491390; PF-03491390; PF03491390; (3S)-3-[[(2S)-2-[[2-(2-tert-butylanilino)-2-oxoacetyl]amino]propanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
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
Molecular Weight	569.51
Molecular Formula	C26H27F4N3O7
Canonical SMILES	CC(C(=O)NC(CC(=O)O)C(=O)COC1=C(C(=CC(=C1F)F)F)F)NC(=O)C(=O)NC2=CC=CC=C2C(C)(C)C
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
InChIKey	SCVHJVCATBPIHN-SJCJKPOMSA-N
Purity	99.59%
Density	1.4±0.1 g/cm3
Solubility	In Vitro: DMSO : 100 mg/mL(175.59 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline Solubility: 2.5 mg/mL (4.39 mM); Suspended solution; Need ultrasonic 2.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CDin saline) Solubility: 2.5 mg/mL (4.39 mM); Suspended solution; Need ultrasonic 3.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 2.5 mg/mL (4.39 mM); Clear solution
Appearance	Solid Powder
Application	liver disease therapy
Storage	Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month
Complexity	934
Exact Mass	569.17851286
Index Of Refraction	1.550
In Vitro	Emricasan (PF 03491390; IDN-6556) (50 μM; 24 hours) directly improves hepatocytes phenotype in primary rat cirrhotic hepatocytes. Emricasan (10-50 μM) has hepatoprotective effects in human liver cells.
In Vivo	Emricasan (PF 03491390; IDN-6556) is orally active that is retained in the liver for prolonged period of time. TUNEL-positive cells are considerably increased by five-fold in mice fed a HFD and are reduced under Emricasan treatment. In accordance with this observation Caspase-3 and -8 are increased in HFD-fed mice by 1.5- and 1.3-fold respectively and are significantly decreased by Emricasan treatment. When comparing efficacy by multiple routes of administration, Emricasan is administered i.p., p.o., i.m., or i.v. (0.03-3 mg/kg). Caspase 3-like activities, measured as DEVD-AMC cleavage, dose dependently decreased with a 92.5% reduction after the highest dose of Emricasan (3 mg/kg). Emricasan is initially tested in the α-Fas model of liver injury, marked hepatocellular Apoptosis, and peak ALT activities within 6 h. Emricasan is administered i.p. immediately after administration of α-Fas, ALT activities, measured 6 h later, decreased in a dose-dependent manner with an ED50 value of 0.08 (0.06-0.12) mg/kg. Emricasan is a highly selective pan-Caspase inhibitor demonstrating irreversible inhibition and a significant first-pass effect. In both syngeneic mouse islets and human islets transplanted into immunodeficient mice, Emricasan (i.p., 20 mg/kg) given for 7 days post-transplant led to a significantly enhanced rate of diabetes reversal as compared to vehicle.
PSA	150.90000
Target	Caspase; Influenza Virus
XLogP3-AA	3.6