Emricasan - Moligand™, ≥98% , Caspase inhibitor, CAS No.254750-02-2, Caspase inhibitor

CAS: 254750-02-2 Cat. No.: E125896 Fórmula: C26H27F4N3O7 Peso molecular: 569.51
Disponível para encomenda
GRAU & PUREZA 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
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Tamanho
USA
Alemanha (EU)*
Preço
Qtd
5mg
E125896-5mg
3 Em stock
—
104,90US$
10mg
E125896-10mg
3 Em stock
—
169,90US$
25mg
E125896-25mg
Sob encomenda · 8–12 semanas
344,90US$
50mg
E125896-50mg
2 Em stock
—
626,90US$
100mg
E125896-100mg
Sob encomenda · 8–12 semanas
918,90US$
Enter a quantity for the sizes you want to add.
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Por que este grau

Moligand™, ≥98% Moligand™ para fluxos de trabalho cromatográficos e analíticos sensíveis que exigem interferência mínima da linha de base.

🌡

Armazenamento e envio

Store at -20°C Envio Ice chest + Ice pads. Consulte o COA específico do lote para obter as especificações exatas.

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Documentos de qualidade

SDS, COA, ficha técnica e folha de especificações disponíveis para download. COA específico do lote acessível por meio de pesquisa por número de lote.

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Comprovação documental

Citado em 0 publicações revisadas por pares nas áreas de cromatografia, síntese orgânica e reações de acoplamento cruzado.

Especificações

Sinónimos
(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
Especificações e pureza
Moligand™, ≥98%
Mecanismos bioquímicos e fisiológicos
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
Condições de armazenamento de armazenamento
Store at -20°C
Enviado em
Ice chest + Ice pads
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Grau
Moligand™
Tipo de ação
INHIBITOR
Mecanismo de ação
Caspase inhibitor
Pureza
≥98%
Propriedades do produto
ALogP
3.6
Nomes e identificadores
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504766874
Sorrisos canónicos
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
SMILES isoméricas
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
Peso molecular
569.51
Reaxy-Rn
10047524
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10047524&ln=

Documentação

📋 Ficha de dados de segurança (FDS)

Documento abrangente sobre perigos, manuseamento, armazenamento e conformidade regulamentar.

<<<<<<< HEAD Baixar SDS → ======= Baixar SDS → >>>>>>> release248-p3

✅ Certificado de análise (COA)

Dados de qualidade específicos do lote. Introduza o número de lote para obter o COA exato.

Consultar COA →

📊 Ficha técnica

Resumo de referência rápida das especificações e aplicações do produto.

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🔬 Folha de especificações

Atributos de qualidade completos e critérios de aceitação para este grau.

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Dados avançados

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassePeptidomimetics
SubclassHybrid peptides
Intermediate Tree Nodes Not available
Direct ParentHybrid 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 FrameworkAromatic 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
DescriçãoThis 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
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
CASP8 Tchem Caspase-8 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CASP3 Tchem Caspase-3 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CASP3 Tchem Caspase-3 (3632 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CASP8 Tchem Caspase-8 (1006 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CASP1 Tchem Caspase-1 (6235 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CASP6 Tchem Caspase-6 (1213 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Caco-2 (12174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THP-1 (11052 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Jurkat (10389 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cryptococcus neoformans (21258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
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 NumberCertificate TypeDataItem
L2125076L2125076Certificate of AnalysisJul 15, 2025 E125896
L2125077L2125077Certificate of AnalysisJul 15, 2025 E125896
L2125078L2125078Certificate of AnalysisJul 15, 2025 E125896
Propriedades químicas e físicas
SolubilidadeDMSO
Peso molecular569.500 g/mol
XLogP33.600
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass569.179 Da
Monoisotopic Mass569.179 Da
Topological Polar Surface Area151.000 Ų
Heavy Atom Count40
Formal Charge0
Complexity934.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
FAQs e artigos
Calculadoras de soluções
Revisões

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