Cetylpyridinium Chloride

Category	Hepatitis B Virus (HBV)
CAS	123-03-5
Description	Cetylpyridinium Chloride is used as an antiseptic in mouthwashes, toothpastes, lozenges, throat sprays, breath sprays, and nasal sprays.

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Synonyms	1-Cetylpyridinium chloride
Molecular Weight	339.992
Molecular Formula	C21H38ClN
Canonical SMILES	CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-]
InChI	InChI=1S/C21H38N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1
InChIKey	YMKDRGPMQRFJGP-UHFFFAOYSA-M
Melting Point	83-84°C
Purity	0.9944
Solubility	Soluble in chloroform (slightly), methanol (slightly).
Appearance	White to Off-White Solid
Storage	Room Temperature
Complexity	208
Exact Mass	339.2692779
In Vitro	Cetylpyridinium chloride interacts with dimeric viral nucleocapsid protein (known as core protein or HBcAg) specifically. Compared with other HBV inhibitors, Cetylpyridinium chloride achieves significantly better reduction of HBV particle number in HepG2.2.15 cell line. Cetylpyridinium chloride inhibits capsid assembly and leads to reduced HBV biogenesis. Cetylpyridinium chloride is a safe antimicrobial agent with broad-spectrum activity for preventing biofilm formation and gingivitis.
In Vivo	Cetylpyridinium chloride (30 μg/kg; intramuscular injection; daily; for 3 days; male C57BL/6 mice) treatment inhibits HBV replication in mouse hydrodynamic model system.
PSA	3.88
Target	IC50: 2.5 μM (HBV capsid assembly)