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Bersacapavir

CAT: 0804-HY-109168-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-109168-01Size:5 mg
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Description
Bersacapavir (JNJ-6379) is a novel Hepatitis B Virus capsid assembly modulator. Bersacapavir interferes with the assembly process of the hepatitis B virus nucleocapsid by binding to the hydrophobic pocket at the dimer-dimer interface of hepatitis B core protein (HBc) subunits. Bersacapavir inhibits the replication of HBV. Bersacapavir is mainly used in the research of chronic hepatitis B[1][2][3].
CAS Number
1638266-40-6
Product Name Alternative
JNJ-6379; JNJ-56136379
UNSPSC
12352005
Target
HBV
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/bersacapavir.html
Purity
99.24
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C1=CC(S(=O)(N[C@@H](C)C(F)(F)F)=O)=CN1C)NC2=CC=C(F)C(C#N)=C2
Molecular Formula
C16H14F4N4O3S
Molecular Weight
418.37
References & Citations
[1]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.|[2]Zheng Y, et al. Canocapavir Is a Novel Capsid Assembly Modulator Inducing a Conformational Change of the Linker Region of HBV Core Protein. Viruses. 2023 May 18;15 (5) :1195.|[3]Wooddell C I, et al. Discovery and Development of ARO‐HBV/JNJ‐3989. Trends in Antiviral Drug Development, 2025: 211-246.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

Bersacapavir

Bersacapavir is under investigation in clinical trial NCT03365947 (Study of ARO-HBV in Normal Adult Volunteers and Patients With Hepatitis B Virus (HBV)).

CAS Number1638266-40-6
PubChem CID121294984
IUPAC NameN-(3-cyano-4-fluorophenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
Molecular FormulaC16H14F4N4O3S
Molecular Weight418.4
XLogP2.2
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity730
SMILES
C[C@@H](C(F)(F)F)NS(=O)(=O)C1=CN(C(=C1)C(=O)NC2=CC(=C(C=C2)F)C#N)C
InChI
InChI=1S/C16H14F4N4O3S/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)/t9-/m0/s1
InChIKey
SBVBIDUKSBJYEF-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of Bersacapavir
CAS: 1638266-40-6
CID: 121294984
Formula: C16H14F4N4O3S
MW: 418.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.4
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass418.07227414
Monoisotopic Mass418.07227414
Topological Polar Surface Area112 Ų
Heavy Atom Count28
Formal Charge0
Complexity730
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA1820-25Bersacapavir
MBS5825373Bersacapavir(JNJ-56136379)

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