HBV-IN-4 - ≥99% , CAS No.2305897-84-9

CAS: 2305897-84-9 Cat. No.: H651638 Formula: C₂₄H₁₉ClFN₅O₃ Peso molecolare: 479.89 PubChem CID: 146653485

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

HBV-IN-4, a phthalazinone derivative, is a potent and orally active HBV DNA replication inhibitor with an IC 50 of 14 nM. HBV-IN-4 induces the formation of genome-free capsids and has potent anti- HBV potencies

In Vitro

HBV-IN-4 (compound 19f; 0-1 μM; 8 days) treatment inhibits the various forms (relaxed circular [rc] and single-stranded [ss] HBV DNA) in a dose-dependent manner in HepG2.2.15 cells. HBV-IN-4 treatment could also reduce capsidassociated DNAs dose-dependently. HBV-IN-4 could induce the formation of genome-free capsids, including a phenotype of faster-migrating ones. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

HBV-IN-4 (Compound 19f; 50-150 mg/kg; oral administration; twice a day; for 4 weeks; Balb/c male mice) treatment achieves 2.67 log viral load reduction in AAV-HBV/mouse model . HBV-IN-4 (compound 19f) exhibits favorable drug characteristics with low plasma clearance (CL=4.1 mL/min/kg), excellent drug exposure (AUC 0-t =49 744 h•ng/L), T 1/2 (2.15 hours) and oral bioavailability (F=60.4%) using 20 mg/kg oral administration in mice. HBV-IN-4 also shows good distribution in liver exposure . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Balb/c male mice (8-week-old) injected with a recombinant adenoassociated virus (AAV Dosage: 50 mg/kg, 150 mg/kg Administration: Oral administration; twice a day; for 4 weeks Result: Resulted in a 2.67 log reduction of the HBV DNA viral load during a 4-week treatment.

Form:Solid

IC50& Target:IC50: 14 nM (HBV DNA replication)

Specifications

Specifiche e purezza

≥99%

Meccanismi biochimici e fisiologici

HBV-IN-4, a phthalazinone derivative, is a potent and orally active HBV DNA replication inhibitor with an IC 50 of 14 nM. HBV-IN-4 induces the formation of genome-free capsids and has potent anti- HBV potencies.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥99%

Nomi e identificatori

Sorrisi canonici

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC=C(C=C3)C#N)C4=CC(=C(N=C4F)NCC(CO)O)Cl

IUPAC Name

4-[[4-[5-chloro-6-(2,3-dihydroxypropylamino)-2-fluoropyridin-3-yl]-1-oxophthalazin-2-yl]methyl]benzonitrile

InChIKey

WTCNPITUIDRZKR-UHFFFAOYSA-N

INCHI

1S/C24H19ClFN5O3/c25-20-9-19(22(26)29-23(20)28-11-16(33)13-32)21-17-3-1-2-4-18(17)24(34)31(30-21)12-15-7-5-14(10-27)6-8-15/h1-9,16,32-33H,11-13H2,(H,28,29)

Isomeri SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC=C(C=C3)C#N)C4=CC(=C(N=C4F)NCC(CO)O)Cl

PubChem CID

146653485

Peso molecolare

479.89

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Phthalazines
          • Level6 Phthalazinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Phthalazines
• Direct Parent: Phthalazinones
• Alternative Parents: Polyhalopyridines Benzonitriles Secondary alkylarylamines Hydroxypyridines 2-halopyridines Pyridazines and derivatives Imidolactams Heteroaromatic compounds Secondary alcohols Lactams Nitriles Azacyclic compounds Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalazinone - Polyhalopyridine - Benzonitrile - 2-halopyridine - Hydroxypyridine - Secondary aliphatic/aromatic amine - Imidolactam - Benzenoid - Pyridine - Pyridazine - Monocyclic benzene moiety - Heteroaromatic compound - Secondary alcohol - Lactam - Azacycle - Secondary amine - Nitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phthalazinones. These are compounds containing a phthalazine bearing a ketone group.
• 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

Obiettivi associati (non umani)

Hepatitis B virus (7925 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: DMSO : 100 mg/mL (208.38 mM; Need ultrasonic)

Domande frequenti

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2305897-84-9, the molecular formula is C24H19ClFN5O3, and the molecular weight is 479.89 g/mol. InChIKey WTCNPITUIDRZKR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.