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Emricasan - ≥98%, high purity , Caspase inhibitor, CAS No.254750-02-2, Caspase inhibitor

COA COA
In stock
Item Number
E125896
Grouped product items
SKU Size
Availability
 Price Qty
E125896-5mg
5mg
3
$105.90
E125896-10mg
10mg
3
$177.90
E125896-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$400.90
E125896-50mg
50mg
2
$533.90
E125896-100mg
100mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$961.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet
View related series
Anti-infection (2803) Apoptosis (4276) Caspase (131) Caspase 8 Inhibitor (3) Influenza Virus (253) Intrinsic Pathway (690) Virus (1811)

Basic Description

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
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Action Type INHIBITOR
Mechanism of action Caspase inhibitor

Taxonomic Classification

Taxonomy Tree

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

Product Properties

ALogP 3.6

Associated Targets(Human)

CASP8 Tchem Caspase-8 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CASP3 Tchem Caspase-3 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CASP3 Tchem Caspase-3 (3632 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CASP8 Tchem Caspase-8 (1006 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CASP1 Tchem Caspase-1 (6235 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CASP6 Tchem Caspase-6 (1213 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Caco-2 (12174 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
THP-1 (11052 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HEK293 (82097 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Jurkat (10389 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Escherichia coli (133304 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Cryptococcus neoformans (21258 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Candida albicans (78123 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mus musculus (284745 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504766874
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504766874
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
InChIKey SCVHJVCATBPIHN-SJCJKPOMSA-N
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
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=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number Certificate Type Date Item
L2125076 Certificate of Analysis Oct 09, 2023 E125896
L2125077 Certificate of Analysis Oct 09, 2023 E125896
L2125078 Certificate of Analysis Oct 09, 2023 E125896

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

Solution Calculators

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