Danoprevir - ≥95% , Hepatitis C virus serine protease, NS3/NS4A inhibitor, CAS No.850876-88-9, Hepatitis C virus serine protease, NS3/NS4A inhibitor

CAS: 850876-88-9 Cat. No.: D127014 Fórmula: C35H46FN5O9S Peso molecular: 731.85
Disponível para encomenda
GRAU & PUREZA ≥95%
Synonyms
Ganovo | R7227 | UNII-911Z9PCQ5F | CCG-270417 | Danoprevir (ITMN-191) | (3S,5R,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | BIDD:GT0614 | DANOPREVIR [INN] | ITMN B | 4-Fluoro-1,3-dihydro-2h-isoindole-2-carboxyl
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Tamanho
USA
Alemanha (EU)*
Preço
Qtd
5mg
D127014-5mg
5 Em stock
—
167,90US$
10mg
D127014-10mg
5 Em stock
—
296,90US$
25mg
D127014-25mg
3 Em stock
—
668,90US$
50mg
D127014-50mg
1 Em stock
—
1038,90US$
Enter a quantity for the sizes you want to add.
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Por que este grau

≥95% para fluxos de trabalho cromatográficos e analíticos sensíveis que exigem interferência mínima da linha de base.

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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
Ganovo | R7227 | UNII-911Z9PCQ5F | CCG-270417 | Danoprevir (ITMN-191) | (3S,5R,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | BIDD:GT0614 | DANOPREVIR [INN] | ITMN B | 4-Fluoro-1,3-dihydro-2h-isoindole-2-carboxyl
Especificações e pureza
≥95%
Mecanismos bioquímicos e fisiológicos
Danoprevir(ITMN 191; ITMN-191; R7227; RO5190591; RG7227) is an inhibitor of the NS3/4A protease.Danoprevir (ITMN 191; ITMN-191; R7227; RO5190591; RG7227)is useful for anti-HCV,anti-cancer.Potent orally available peptidomimetic inhibitor of the NS3/4A prot
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.
Tipo de ação
INHIBITOR
Mecanismo de ação
Hepatitis C virus serine protease, NS3/NS4A inhibitor
Pureza
≥95%
Propriedades do produto
ALogP
3.3
Nomes e identificadores
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504766246
Sorrisos canónicos
CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(NC(=O)C3CC(CN3C1=O)OC(=O)N4CC5=C(C4)C(=CC=C5)F)C(=O)NS(=O)(=O)C6CC6
IUPAC Name
[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate
InChIKey
ZVTDLPBHTSMEJZ-JSZLBQEHSA-N
INCHI
1S/C35H46FN5O9S/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40/h7,9-12,22-24,27-28H,4-6,8,13-20H2,1-3H3,(H,37,45)(H,38,42)(H,39,44)/b11-7-/t22-,23-,27+,28+,35-/m1/s1
SMILES isoméricas
CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC(=O)N4CC5=C(C4)C(=CC=C5)F)C(=O)NS(=O)(=O)C6CC6
Peso molecular
731.85
Reaxy-Rn
31131204
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31131204&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.

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📊 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
ClasseCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Peptides
Direct ParentCyclic peptides
Alternative Parents Macrolactams  Alpha amino acid amides  Isoindoles  Isoindolines  Aryl fluorides  Benzenoids  Cyclopropanecarboxylic acids and derivatives  Tertiary carboxylic acid amides  Pyrrolidines  Organosulfonic acids and derivatives  Aminosulfonyl compounds  Carbamate esters  Secondary carboxylic acid amides  Organic carbonic acids and derivatives  Lactams  Azacyclic compounds  Carbonyl compounds  Organic oxides  Organofluorides  Organopnictogen compounds  Hydrocarbon derivatives  Organonitrogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Cyclic alpha peptide - Macrolactam - Alpha-amino acid amide - Alpha-amino acid or derivatives - Isoindoline - Isoindole - Isoindole or derivatives - Aryl fluoride - Aryl halide - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Aminosulfonyl compound - Carbamic acid ester - Tertiary carboxylic acid amide - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxamide group - Secondary carboxylic acid amide - Carbonic acid derivative - Lactam - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organofluoride - Organic oxide - Carbonyl group - Aromatic heteropolycyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Caco-2 (12174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MT4 (17854 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver (3974 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hepatitis C virus (23859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NS4A Hepatitis C virus serine protease, NS3/NS4A (1215 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NS3 protease (56 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.

9 results found

Lot NumberCertificate TypeDataItem
A2627125A2627125Certificate of AnalysisFeb 04, 2026 D127014
F23141169F23141169Certificate of AnalysisApr 07, 2025 D127014
F23141067F23141067Certificate of AnalysisMar 04, 2025 D127014
F23141160F23141160Certificate of AnalysisMar 04, 2025 D127014
F23141375F23141375Certificate of AnalysisMar 04, 2025 D127014
F23141383F23141383Certificate of AnalysisMar 04, 2025 D127014
F23141384F23141384Certificate of AnalysisMar 04, 2025 D127014
F23141387F23141387Certificate of AnalysisMar 04, 2025 D127014
F2314381F2314381Certificate of AnalysisMay 27, 2023 D127014
Propriedades químicas e físicas
SolubilidadeDMSO 144 mg/mL Water <1 mg/mL Ethanol 144 mg/mL
Peso molecular731.800 g/mol
XLogP33.300
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass731.3 Da
Monoisotopic Mass731.3 Da
Topological Polar Surface Area189.000 Ų
Heavy Atom Count51
Formal Charge0
Complexity1530.000
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

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