Beclabuvir - ≥99% , Hepatitis C virus NS5B RNA-dependent RNA polymerase negative allosteric modulator, CAS No.958002-33-0, Hepatitis C virus NS5B RNA-dependent RNA polymerase negative allosteric modulator

CAS: 958002-33-0 Cat. No.: B650107 Formule: C36H45N5O5S Poids moléculaire: 659.84 PubChem CID: 49773361
DISPONIBLE À COMMANDE
QUALITÉ & PURETÉ ≥99%
Synonyms
Beclabuvir(BMS-791325)|Beclabuvir|Beclabuvir (USAN/INN)|(8S,10R)-19-Cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide|BMS-791325|Beclabuvir; BMS-791325; BMS791325
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Taille
USA
Allemagne (EU)*
Prix
Qté
5mg
B650107-5mg
Sur commande · 8–12 semaines
700,90$US
10mg
B650107-10mg
Sur commande · 8–12 semaines
1 100,90$US
25mg
B650107-25mg
Sur commande · 8–12 semaines
2 200,90$US
50mg
B650107-50mg
Sur commande · 8–12 semaines
3 200,90$US
100mg
B650107-100mg
Sur commande · 8–12 semaines
4 800,90$US
Enter a quantity for the sizes you want to add.

Vue d’ensemble

Beclabuvir is an allosteric inhibitor that binds to thumb site 1 of the hepatitis C virus ( HCV ) NS5B RNA-dependent RNA polymerase, and inhibits recombinant NS5B proteins from HCV genotypes 1, 3, 4, and 5 with IC 50 of < 28 nM.

In Vitro

Beclabuvir demonstrates additive or synergistic antiviral activity with pegIFN/RBV and in 2- or 3-drug combinations with a range of DAAs, such as HCV NS3 protease inhibitors, NS5A inhibitors' and/or nucleoside NS5B inhibitors. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

The combination of beclabuvir with asunaprevir and daclatasvir achieves very high rates of viral eradication (about 90%) in patients infected with HCV genotype 1, which is the most common genotype worldwide . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: < 28 nM (NS5B protein)

Spécifications

Synonymes
Beclabuvir(BMS-791325) | Beclabuvir | Beclabuvir (USAN/INN) | (8S,10R)-19-Cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide | BMS-791325 | Beclabuvir; BMS-791325; BMS791325
Spécifications et pureté
≥99%
Mécanismes biochimiques et physiologiques
Beclabuvir is an allosteric inhibitor that binds to thumb site 1 of the hepatitis C virus ( HCV ) NS5B RNA-dependent RNA polymerase, and inhibits recombinant NS5B proteins from HCV genotypes 1, 3, 4, and 5 with IC 50 of < 28 nM.
Conditions de stockage de stockage
Store at -20°C
Expédié en
Ice chest + Ice pads
Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.
Type d'action
NEGATIVE ALLOSTERIC MODULATOR
Mécanisme d'action
Hepatitis C virus NS5B RNA-dependent RNA polymerase negative allosteric modulator
Pureté
≥99%
Propriétés du produit
ALogP
4.5
Noms et identifiants
Sourires canoniques
CN1CC2CCC(C1)N2C(=O)C34CC3C5=C(C=CC(=C5)OC)C6=C(C7=C(N6C4)C=C(C=C7)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8
IUPAC Name
(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
InChIKey
ZTTKEBYSXUCBSE-VSBZUFFNSA-N
INCHI
1S/C36H45N5O5S/c1-38(2)47(44,45)37-34(42)23-10-14-28-31(16-23)40-21-36(35(43)41-24-11-12-25(41)20-39(3)19-24)18-30(36)29-17-26(46-4)13-15-27(29)33(40)32(28)22-8-6-5-7-9-22/h10,13-17,22,24-25,30H,5-9,11-12,18-21H2,1-4H3,(H,37,42)/t24?,25?,30-,36-/m0/s1
Isomères SMILES
CN1CC2CCC(C1)N2C(=O)[C@]34C[C@H]3C5=C(C=CC(=C5)OC)C6=C(C7=C(N6C4)C=C(C=C7)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8
CAS alternatif
958002-33-0
PubChem CID
49773361
Termes d'entrée MeSH
8-cyclohexyl-N-((dimethylamino)sulfonyl)-1,1a,2,12b-tetrahydro-11-methoxy-1a-((3-methyl-3,8-diazabicyclo(3.2.1)oct-8-yl)carbonyl)cycloprop(d)indolo(2,1-a)(2)benzazepine-5-carboxamide;beclabuvir;BMS-791325
Poids moléculaire
659.84

Données avancées

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasseIndoles and derivatives
SubclassIndolecarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentIndolecarboxamides and derivatives
Alternative Parents Benzazepines  3-alkylindoles  Pyrroloazepines  Anisoles  N-acylpyrrolidines  Alkyl aryl ethers  Azepanes  N-methylpiperazines  Azepines  Substituted pyrroles  Cyclopropanecarboxylic acids and derivatives  Tertiary carboxylic acid amides  Organic sulfuric acids and derivatives  Heteroaromatic compounds  Trialkylamines  Amino acids and derivatives  Azacyclic compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Indolecarboxamide derivative - Benzazepine - 3-alkylindole - Pyrroloazepine - Indole - Anisole - N-acylpyrrolidine - Phenol ether - Alkyl aryl ether - Azepane - Azepine - N-alkylpiperazine - N-methylpiperazine - Benzenoid - Cyclopropanecarboxylic acid or derivatives - Piperazine - 1,4-diazinane - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Pyrrolidine - Organic sulfuric acid or derivatives - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Azacycle - Ether - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





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Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
SolubilitéDMSO : ≥ 30 mg/mL (45.47 mM)
Poids moléculaire659.800 g/mol
XLogP34.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass659.314 Da
Monoisotopic Mass659.314 Da
Topological Polar Surface Area113.000 Ų
Heavy Atom Count47
Formal Charge0
Complexity1320.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
FAQ et articles
Calculateurs de solution
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