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MedKoo Cat#: 555280 | Name: Bersacapavir hydrate

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Bersacapavir, also known as JNJ-6379, JNJ-56136379, or JNJ-379, a capsid assembly modulator that blocks hepatitis B virus (HBV) replication. JNJ-56136379 median 50% effective concentration (EC50) values across all genotypes were 10-33 nM versus 17 nM (genotype D reference). JNJ-56136379 remained active against isolates carrying nucleos(t)ide analogue resistance mutations (median EC50 2-25 nM) or basal core promoter (BCP) ± precore (PC) mutations (median EC50 13-20 nM) or PC mutations (median EC50 11 nM), representing activity against isolates from HBeAg-positive and -negative hepatitis B patients.

Chemical Structure

Bersacapavir hydrate
Bersacapavir hydrate
CAS#Bersacapavir hydrate

Theoretical Analysis

MedKoo Cat#: 555280

Name: Bersacapavir hydrate

CAS#: Bersacapavir hydrate

Chemical Formula: C16H16F4N4O4S

Exact Mass:

Molecular Weight: 436.38

Elemental Analysis: C, 44.04; H, 3.70; F, 17.41; N, 12.84; O, 14.67; S, 7.35

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
1638266-40-6 (free) Bersacapavir hydrate
Synonym
JNJ-6379; JNJ 6379; JNJ6379; JNJ-56136379; JNJ 56136379; JNJ56136379; JNJ-379; JNJ 379; JNJ379; Bersacapavir;
IUPAC/Chemical Name
N-(3-cyano-4-fluorophenyl)-1-methyl-4-{[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl}-1H-pyrrole-2-carboxamide hydrate
InChi Key
XTXCYJQEILOMAY-FVGYRXGTSA-N
InChi Code
InChI=1S/C16H14F4N4O3S.H2O/c1-9(16(18,19)20)23-28(26,27)12-6-14(24(2)8-12)15(25)22-11-3-4-13(17)10(5-11)7-21;/h3-6,8-9,23H,1-2H3,(H,22,25);1H2/t9-;/m0./s1
SMILES Code
O=C(C1=CC(S(=O)(N[C@@H](C)C(F)(F)F)=O)=CN1C)NC2=CC=C(F)C(C#N)=C2.[H]O[H]
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
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 436.38 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
1: Vermes T, Kielpinski M, Henkel T, Pericàs MA, Alza E, Corcuera A, Buschmann H, Goldner T, Urban A. An automated microfluidic platform for the screening and characterization of novel hepatitis B virus capsid assembly modulators. Anal Methods. 2022 Jan 6;14(2):135-146. doi: 10.1039/d1ay01227d. PMID: 34918017. 2: Verbinnen T, Hodari M, Talloen W, Berke JM, Blue D, Yogaratnam J, Vandenbossche J, Shukla U, De Meyer S, Lenz O. Virology analysis of chronic hepatitis B virus-infected patients treated for 28 days with JNJ-56136379 monotherapy. J Viral Hepat. 2020 Nov;27(11):1127-1137. doi: 10.1111/jvh.13351. Epub 2020 Jul 20. PMID: 32579776. 3: Verbinnen T, Tan Y, Wang G, Dehertogh P, Vergauwen K, Neefs JM, Jacoby E, Lenz O, Berke JM. Anti-HBV activity of the HBV capsid assembly modulator JNJ-56136379 across full-length genotype A-H clinical isolates and core site- directed mutants in vitro. J Antimicrob Chemother. 2020 Sep 1;75(9):2526-2534. doi: 10.1093/jac/dkaa179. PMID: 32417895. 4: Zoulim F, Lenz O, Vandenbossche JJ, Talloen W, Verbinnen T, Moscalu I, Streinu-Cercel A, Bourgeois S, Buti M, Crespo J, Manuel Pascasio J, Sarrazin C, Vanwolleghem T, Shukla U, Fry J, Yogaratnam JZ. JNJ-56136379, an HBV Capsid Assembly Modulator, Is Well-Tolerated and Has Antiviral Activity in a Phase 1 Study of Patients With Chronic Infection. Gastroenterology. 2020 Aug;159(2):521-533.e9. doi: 10.1053/j.gastro.2020.04.036. Epub 2020 Apr 25. PMID: 32343960. 5: Vandenbossche J, Jessner W, van den Boer M, Biewenga J, Berke JM, Talloen W, De Zwart L, Snoeys J, Vandyck K, Fry J, Yogaratnam J. Correction to: Pharmacokinetics, Safety and Tolerability of JNJ-56136379, a Novel Hepatitis B Virus Capsid Assembly Modulator, in Healthy Subjects. Adv Ther. 2020 Apr;37(4):1703. doi: 10.1007/s12325-020-01249-6. Erratum for: Adv Ther. 2019 Sep;36(9):2450-2462. PMID: 32133584. 6: Berke JM, Dehertogh P, Vergauwen K, Mostmans W, Vandyck K, Raboisson P, Pauwels F. Antiviral Properties and Mechanism of Action Studies of the Hepatitis B Virus Capsid Assembly Modulator JNJ-56136379. Antimicrob Agents Chemother. 2020 Apr 21;64(5):e02439-19. doi: 10.1128/AAC.02439-19. PMID: 32094138; PMCID: PMC7179615. 7: Smolders EJ, Burger DM, Feld JJ, Kiser JJ. Review article: clinical pharmacology of current and investigational hepatitis B virus therapies. Aliment Pharmacol Ther. 2020 Jan;51(2):231-243. doi: 10.1111/apt.15581. Epub 2019 Dec 16. PMID: 31840863. 8: Vandenbossche J, Jessner W, van den Boer M, Biewenga J, Berke JM, Talloen W, De Zwart L, Snoeys J, Yogaratnam J. Pharmacokinetics, Safety and Tolerability of JNJ-56136379, a Novel Hepatitis B Virus Capsid Assembly Modulator, in Healthy Subjects. Adv Ther. 2019 Sep;36(9):2450-2462. doi: 10.1007/s12325-019-01017-1. Epub 2019 Jul 2. Erratum in: Adv Ther. 2020 Mar 4;: PMID: 31267367.