Beclabuvir
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MedKoo CAT#: 574302

CAS#: 958002-33-0 (free base)

Description: Beclabuvir is an antiviral drug for the treatment of hepatitis C virus (HCV) infection.


Chemical Structure

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Beclabuvir
CAS# 958002-33-0 (free base)

Theoretical Analysis

MedKoo Cat#: 574302
Name: Beclabuvir
CAS#: 958002-33-0 (free base)
Chemical Formula: C36H45N5O5S
Exact Mass: 659.3141
Molecular Weight: 659.85
Elemental Analysis: C, 65.53; H, 6.87; N, 10.61; O, 12.12; S, 4.86

Price and Availability

Size Price Availability Quantity
5.0mg USD 750.0 2 Weeks
10.0mg USD 1250.0 2 Weeks
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Related CAS #: 958002-36-3 (HCl)   958002-33-0 (free base)  

Synonym: Beclabuvir, BMS-791325, BCV

IUPAC/Chemical 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 Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)

InChi Key: ZTTKEBYSXUCBSE-VSBZUFFNSA-N

InChi Code: 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

SMILES Code: 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

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 659.85 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Zappulo E, Scotto R, Buonomo AR, Maraolo AE, Pinchera B, Gentile I. Efficacy and safety of a fixed dose combination tablet of asunaprevir + beclabuvir + daclatasvir for the treatment of Hepatitis C. Expert Opin Pharmacother. 2020 Feb;21(3):261-273. doi: 10.1080/14656566.2019.1697674. Epub 2020 Jan 8. Review. PubMed PMID: 31914336.

2: Teraoka Y, Uchida T, Imamura M, Hiraga N, Osawa M, Kan H, Saito Y, Tsuge M, Abe-Chayama H, Hayes CN, Makokha GN, Aikata H, Miki D, Ochi H, Ishida Y, Tateno C, Chayama K. Limitations of daclatasvir/asunaprevir plus beclabuvir treatment in cases of NS5A inhibitor treatment failure. J Gen Virol. 2018 Aug;99(8):1058-1065. doi: 10.1099/jgv.0.001091. Epub 2018 Jun 19. PubMed PMID: 29916799.

3: Thiam A, Conway B. Daclatasvir, asunaprevir and beclabuvir fixed-dose combination for patients with genotype 1 chronic hepatitis C. Drugs Today (Barc). 2018 Apr;54(4):237-244. doi: 10.1358/dot.2018.54.4.2795154. Review. PubMed PMID: 29869645.

4: Esposito I, Marciano S, Trinks J. Pharmacokinetic and pharmacodynamic evaluation of daclatasvir, asunaprevir plus beclabuvir as a fixed-dose co-formulation for the treatment of hepatitis C. Expert Opin Drug Metab Toxicol. 2018 Jun;14(6):649-657. doi: 10.1080/17425255.2018.1483336. Epub 2018 Jun 10. Review. PubMed PMID: 29855221.