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 Formula: C36H45N5O5S Peso molecolare: 659.84 PubChem CID: 49773361
Disponibile su ordine
QUALITÀ & PUREZZA ≥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
★
Dimensione
Germania (EU)
USA*
Prezzo
Qtà
5mg
B650107-5mg
Su ordinazione · 8–12 settimane
608,20€
10mg
B650107-10mg
Su ordinazione · 8–12 settimane
955,29€
25mg
B650107-25mg
Su ordinazione · 8–12 settimane
1.909,81€
50mg
B650107-50mg
Su ordinazione · 8–12 settimane
2.777,55€
100mg
B650107-100mg
Su ordinazione · 8–12 settimane
4.165,93€
Enter a quantity for the sizes you want to add.

Panoramica

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)

Specifiche

Sinonimi
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
Specifiche e purezza
≥99%
Meccanismi biochimici e fisiologici
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.
Condizioni di conservazione di stoccaggio
Store at -20°C
Spedito in
Ice chest + Ice pads
Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.
Tipo di azione
NEGATIVE ALLOSTERIC MODULATOR
Meccanismo d'azione
Hepatitis C virus NS5B RNA-dependent RNA polymerase negative allosteric modulator
Purezza
≥99%
Proprietà del prodotto
ALogP
4.5
Nomi e identificatori
Sorrisi canonici
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
Isomeri 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 alternativo
958002-33-0
PubChem CID
49773361
Termini 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
Peso molecolare
659.84

Dati avanzati

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
DescrizioneThis 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
Struttura 3D
Modello di struttura chimica interattiva





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Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
SolubilitàDMSO : ≥ 30 mg/mL (45.47 mM)
Peso molecolare659.800 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
Domande frequenti e articoli
Calcolatori di soluzioni
Recensioni

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