BECLABUVIR HYDROCHLORIDE

Possibly Marketed Outside US

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H45N5O5S.ClH
Molecular Weight	696.299
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.[H][C@@]12C[C@@]1(CN3C4=C(C=CC(=C4)C(=O)NS(=O)(=O)N(C)C)C(C5CCCCC5)=C3C6=C2C=C(OC)C=C6)C(=O)N7[C@H]8CC[C@@H]7CN(C)C8

InChI

InChIKey=IHXVACFNNPBRLK-OZSFMWOHSA-N

InChI=1S/C36H45N5O5S.ClH/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);1H/t24-,25+,30-,36-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C36H45N5O5S
Molecular Weight	659.838
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/30848363 | https://www.hepmag.com/pdfs/hepatitis_c_drug_list.pdf

Beclabuvir (previously known as BMS-791325), a potent, non-nucleoside inhibitor of the HCV NS5B RNA polymerase. In combination with daclatasvir and asunaprevir drug participates in clinical trials phase III for patients infected with HCV genotype 1, which is the most common genotype worldwide. Recently published data has shown that this combination achieved very high rates of viral eradication.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Hepatitis C virus NS5B RNA-dependent RNA polymerase 14 Target ID: CHEMBL5375 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24733465	Inhibitor 8297		0.003 µM [IC50]

PubMed

Title	Date	PubMed
A randomized, placebo-controlled study of the NS5B inhibitor beclabuvir with peginterferon/ribavirin for HCV genotype 1.	2015 Aug	25496007
Effects of a Fixed-Dose Co-Formulation of Daclatasvir, Asunaprevir, and Beclabuvir on the Pharmacokinetics of a Cocktail of Cytochrome P450 and Drug Transporter Substrates in Healthy Subjects.	2018 Mar	29255971
Beclabuvir in combination with asunaprevir and daclatasvir for hepatitis C virus genotype 1 infection: A systematic review and meta-analysis.	2018 May	28892235

Patents

Sample Use Guides

In Vivo Use Guide

Oral treatment with Asunaprevir 200mg (ASV), Daclatasvir 30 mg (DCV) and BMS-791325 75 mg in a fixed dose combination pill (FDC), twice daily, for 12 weeks in HIV/HCV genotype 1a or 1b patients Other Name: Asunaprevir (ASV) and Daclatasvir (DCV) and BMS-791325 (Beclabuvir)

Route of Administration: Oral

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:58:31 GMT 2023` Edited by `admin` on `Sat Dec 16 09:58:31 GMT 2023`
Record UNII	3KU5345YJF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BECLABUVIR HYDROCHLORIDE

Official Name

English

BECLABUVIR HYDROCHLORIDE [JAN]

Common Name

English

(4bS,5aR)-12-Cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-5a-[(3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl)carbonyl]-4b,5,5a,6-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-9-carboxamide monohydrochloride

Systematic Name

English

BECLABUVIR HYDROCHLORIDE [MI]

Common Name

English

BECLABUVIR HYDROCHLORIDE [USAN]

Common Name

English

CYCLOPROP(D)INDOLO(2,1-A)(2)BENZAZEPINE-9-CARBOXAMIDE, 12-CYCLOHEXYL-N-((DIMETHYLAMINO)SULFONYL)-4B,5,5A,6-TETRAHYDRO-3-METHOXY-5A-((3-METHYL-3,8-DIAZABICYCLO(3.2.1)OCT-8-YL)CARBONYL)-, HYDROCHLORIDE (1:1), (4BS,5AR)-

Systematic Name

English

BMS-791325-08

Code

English

Beclabuvir hydrochloride [WHO-DD]

Common Name

English

BMS-791325 HYDROCHLORIDE

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C281