BA-53038B - ≥98% , CAS No.2306195-65-1

CAS: 2306195-65-1 Cat. No.: B650840 Molecular Weight: 249.74 PubChem CID: 138454763

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

BA-53038B is a HBV core protein allosteric modulator (CpAM) , binding to the HAP pocket and modulating HBV capsid assembly. BA-53038B has antiviral activity for hepatitis B virus (HBV) with an EC 50 value of 3.32 μM. BA-53038B can be used for the research of chronic hepatitis B

In Vitro

BA-53038B has antiviral activity for HBV with an EC 50 value of 3.32 μM. BA-53038B has cytotoxicity with CC 50 value of >100 μM. BA-53038B (5 μM; 48 h) induces the capsid/nucleocapsid mobility shift and reduced the amount of hypophosphorylated core protein. BA-53038B (0-20 μM; 2 or 6 days) inhibits HBV nucleocapsid assembly. BA-53038B (5 μM; 2 days) inhibits pgRNA encapsidation and consequentially reduces the amount of DNA-containing capsids and hypophosphorylated core protein. BA-53038B (2 μM; 6 h) modulates HBV capsid assembly by binding to the HAP pocket. BA-53038B has resistant effect with an EC 50 value of >10 μM on HBV capsid (HepG2 cells transiently transfected pHBV1.3/core-V124W). MCE has not independently confirmed the accuracy of these methods. They are for reference only. Western Blot AnalysisCell Line: AML12HBV10 cells Concentration: 5 μM Incubation Time: 48 h Result: Reduced the amount of hypophosphorylated core protein and promoted the assembly of empty capsids with slow electrophoresis mobility. RT-PCRCell Line: AML12HBV10 and HepDES19 cells Concentration: 0-20 μM Incubation Time: 2 or 6 days Result: Inhibited HBV replication in both AML12HBV10 and HepDES19 cells.

Form:Solid

IC50& Target:EC 50: 3.32 μM (HBV)

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

BA-53038B is a HBV core protein allosteric modulator (CpAM) , binding to the HAP pocket and modulating HBV capsid assembly. BA-53038B has antiviral activity for hepatitis B virus (HBV) with an EC 50 value of 3.32 μM. BA-53038B can be used for the research

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CCC2C(C1)C2C(=O)NC3=CC(=CC=C3)Cl
• IUPAC Name: N-(3-chlorophenyl)bicyclo[4.1.0]heptane-7-carboxamide
• InChIKey: ZLCICHYECNOTGG-UHFFFAOYSA-N
• INCHI: 1S/C14H16ClNO/c15-9-4-3-5-10(8-9)16-14(17)13-11-6-1-2-7-12(11)13/h3-5,8,11-13H,1-2,6-7H2,(H,16,17)
• PubChem CID: 138454763
• Molecular Weight: 249.74

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: N-arylamides Chlorobenzenes Fatty amides Cyclopropanecarboxylic acids and derivatives Carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anilide - N-arylamide - Halobenzene - Chlorobenzene - Fatty acyl - Fatty amide - Cyclopropanecarboxylic acid or derivatives - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: DMSO : 250 mg/mL (1001.04 mM; Need ultrasonic)