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· · COA & SDS available for every product · Same-day shipping on in-stock items Emricasan - Moligand™, ≥98% , Caspase inhibitor, CAS No.254750-02-2, Caspase inhibitor
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98% Synonyms
(S)-3-((S)-2-(2-(2-TERT-BUTYLPHENYLAMINO)-2-OXOACETAMIDO)PROPANAMIDO)-4-OXO-5-(2,3,5,6-TETRAFLUOROPHENOXY)PENTANOIC ACID | VAY-785 | HMS2425L14 | Emricasan (IDN-6556, PF-03491390) | Emricasan [USAN:INN] | DB05408 | PF-03491390 | (3S)-3-[[(2S)-2-[[2-(2-ter
Shipped In
Ice chest + Ice pads
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Why this grade Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
(S)-3-((S)-2-(2-(2-TERT-BUTYLPHENYLAMINO)-2-OXOACETAMIDO)PROPANAMIDO)-4-OXO-5-(2, 3, 5, 6-TETRAFLUOROPHENOXY)PENTANOIC ACID | VAY-785 | HMS2425L14 | Emricasan (IDN-6556, PF-03491390) | Emricasan [USAN:INN] | DB05408 | PF-03491390 | (3S)-3-[[(2S)-2-[[2-(2-ter
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
Emricasan is an antiapoptotic pan-caspase inhibitor. It has been in clinical trials for the treatment of non-alcoholic steatohepatitis (NASH) with advanced fibrosis (scarring) and cirrhosis. Emricasan has also been shown to protect infected astrocytes fro
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Mechanism of action
Caspase inhibitor
Product Properties Names and Identifiers Pubchem Sid 504766874 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504766874 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 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 InChIKey SCVHJVCATBPIHN-SJCJKPOMSA-N 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 Isomeric SMILES C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)COC1=C(C(=CC(=C1F)F)F)F)NC(=O)C(=O)NC2=CC=CC=C2C(C)(C)C Molecular Weight 569.51 Reaxy-Rn 10047524 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10047524&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organic acids and derivatives Class Peptidomimetics Subclass Hybrid peptides Intermediate Tree Nodes Not available Direct Parent Hybrid peptides Alternative Parents N-acyl-alpha amino acids and derivatives Alpha amino acid amides Alanine and derivatives Beta amino acids and derivatives Phenylpropanes Anilides Phenoxy compounds Phenol ethers N-arylamides Gamma-keto acids and derivatives Alkyl aryl ethers Fluorobenzenes Monosaccharides Aryl fluorides Secondary carboxylic acid amides Ketones Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organofluorides Molecular Framework Aromatic homomonocyclic compounds Substituents Hybrid peptide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - Beta amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Anilide - Phenylpropane - Phenoxy compound - Gamma-keto acid - Phenol ether - N-arylamide - Fluorobenzene - Alkyl aryl ether - Halobenzene - Monocyclic benzene moiety - Aryl fluoride - Keto acid - Benzenoid - Aryl halide - Monosaccharide - Secondary carboxylic acid amide - Carboxamide group - Ketone - Ether - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organofluoride - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organopnictogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility DMSO Molecular Weight 569.500 g/mol XLogP3 3.600 Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 11 Rotatable Bond Count 11 Exact Mass 569.179 Da Monoisotopic Mass 569.179 Da Topological Polar Surface Area 151.000 Ų Heavy Atom Count 40 Formal Charge 0 Complexity 934.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 2 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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