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MedKoo Cat#: 591942 | Name: Cetylpyridinium chloride
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Description:

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

Cetylpyridinium chloride is a Germicide, Bactericide, and Disinfectant.

Chemical Structure

Cetylpyridinium chloride
CAS#123-03-5

Theoretical Analysis

MedKoo Cat#: 591942

Name: Cetylpyridinium chloride

CAS#: 123-03-5

Chemical Formula: C21H38ClN

Exact Mass: 0.0000

Molecular Weight: 339.99

Elemental Analysis: C, 74.19; H, 11.27; Cl, 10.43; N, 4.12

Price and Availability

Size Price Availability Quantity
1g USD 250.00 2 Weeks
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Synonym
Cetylpyridinium chloride; NSC 14864; NSC-14864; NSC14864
IUPAC/Chemical Name
1-hexadecylpyridin-1-ium chloride
InChi Key
YMKDRGPMQRFJGP-UHFFFAOYSA-M
InChi Code
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
SMILES Code
CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-]
Appearance
Solid powder
Purity
>97% (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
Product Data
Product Data
Instruction
View handling instruction
Biological target:
Cetylpyridinium chloride is an effective anti-HBV capsid assembly inhibitor with an IC50 of 2.5 μM.
In vitro activity:
It was identified that cetylpyridinium chloride (CPC) is a novel inhibitor of HBV. Using computational docking of CPC to core protein, microscale thermophoresis analysis of CPC binding to viral nucleocapsids, and in vitro nucleocapsid formation assays, it was found that CPC interacts with dimeric viral nucleocapsid protein (known as core protein or HBcAg) specifically. Compared with other HBV inhibitors, such as benzenesulfonamide (BS) and sulfanilamide (SA), CPC achieved significantly better reduction of HBV particle number in HepG2.2.15 cell line, a derivative of human HCC cells that stably expresses HBV. Taken together, these results show that CPC inhibits capsid assembly and leads to reduced HBV biogenesis. Thus, CPC is an effective pharmacological agent that can reduce HBV particles. Reference: Virus Res. 2019 Apr 2;263:102-111. https://linkinghub.elsevier.com/retrieve/pii/S0168-1702(18)30719-6
In vivo activity:
The anti-HBV activity of CPC was tested using a mouse model. CPC suppressed serum HBV DNA levels, decreased by 60% in day 2 and 45% in day 3 compared to the control (Fig. 6B, C). These results demonstrate that CPC represses HBV biogenesis by inhibiting the conversion of dimeric Cp149 to capsid structures through receptor ligand interaction with free dimeric subunits (Figure S4D). Together, these findings indicate that CPC is a potent drug for abolishing HBV. Reference: Virus Res. 2019 Apr 2;263:102-111. https://linkinghub.elsevier.com/retrieve/pii/S0168-1702(18)30719-6
Solvent mg/mL mM comments
Solubility
DMSO 68.0 200.01
Water 68.0 200.01
Ethanol 68.0 200.01
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 339.99 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
Formulation protocol:
In vitro protocol:
1. Seo HW, Seo JP, Cho Y, Ko E, Kim YJ, Jung G. Cetylpyridinium chloride interaction with the hepatitis B virus core protein inhibits capsid assembly. Virus Res. 2019 Apr 2;263:102-111. doi: 10.1016/j.virusres.2019.01.004. Epub 2019 Jan 9. PMID: 30639191. 2. Pitten FA, Kramer A. Efficacy of cetylpyridinium chloride used as oropharyngeal antiseptic. Arzneimittelforschung. 2001;51(7):588-95. doi: 10.1055/s-0031-1300084. PMID: 11505791.
In vivo protocol:
1. Seo HW, Seo JP, Cho Y, Ko E, Kim YJ, Jung G. Cetylpyridinium chloride interaction with the hepatitis B virus core protein inhibits capsid assembly. Virus Res. 2019 Apr 2;263:102-111. doi: 10.1016/j.virusres.2019.01.004. Epub 2019 Jan 9. PMID: 30639191. 2. Imai H, Kita F, Ikesugi S, Abe M, Sogabe S, Nishimura-Danjobara Y, Miura H, Oyama Y. Cetylpyridinium chloride at sublethal levels increases the susceptibility of rat thymic lymphocytes to oxidative stress. Chemosphere. 2017 Mar;170:118-123. doi: 10.1016/j.chemosphere.2016.12.023. Epub 2016 Dec 7. PMID: 27984775.
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Evaluation of Ion-pair Formation of Adefovir to Improve Permeation across Artificial and Biological Membranes. J Pharm Pharm Sci. 2018;21(1):160-170. doi: 10.18433/jpps29394. PubMed PMID: 29789103. 8: Özel MB, Tüzüner T, Güplü ZA, Coleman NJ, Hurt AP, Buruk CK. The antibacterial activity and release of quaternary ammonium compounds in an orthodontic primer. Acta Odontol Latinoam. 2017 Dec;30(3):141-148. PubMed PMID: 29750238. 9: da Silva AB, Rapôso NM, Gomes IA, Gonçalves LM, Paschoal MA. In vitro quantitative comparison of erosive potential of infant mouthwashes on glass ionomer cement. J Clin Exp Dent. 2018 Mar 1;10(3):e206-e211. doi: 10.4317/jced.54314. eCollection 2018 Mar. PubMed PMID: 29721219; PubMed Central PMCID: PMC5923881. 10: Affolabi D, Sanoussi N, Sossou A, Nys T, Bodi O, Esse M, Houeto S, Massou F, de Jong BC, Rigouts L. Performance of OMNIgene•SPUTUM (DNA Genotek) and cetylpyridinium chloride for sputum storage prior to mycobacterial culture. J Med Microbiol. 2018 May 2. doi: 10.1099/jmm.0.000745. [Epub ahead of print] PubMed PMID: 29717969. 11: Haraszthy VI, Sreenivasan PK. Microbiological and clinical effects of an oral hygiene regimen. Contemp Clin Trials Commun. 2017 Aug 18;8:85-89. doi: 10.1016/j.conctc.2017.08.010. eCollection 2017 Dec. PubMed PMID: 29696199; PubMed Central PMCID: PMC5898472. 12: Li Q, Wang J, Lei N, Yan M, Chen X, Yue X. Phase behaviours of a cationic surfactant in deep eutectic solvents: from micelles to lyotropic liquid crystals. Phys Chem Chem Phys. 2018 May 7;20(17):12175-12181. doi: 10.1039/c8cp00001h. Epub 2018 Apr 23. PubMed PMID: 29683162. 13: Bhar R, Kaur G, Mehta SK. Exploring drying pattern of a sessile droplet of genomic DNA in the presence of hematite nanoparticles. Sci Rep. 2018 Apr 20;8(1):6352. doi: 10.1038/s41598-018-24821-1. PubMed PMID: 29679031; PubMed Central PMCID: PMC5910388. 14: Xiang J, Li H, Pan B, Chang J, He Y, He T, Strand R, Shi Y, Dong W. Penetration and bactericidal efficacy of two oral care products in an oral biofilm model. Am J Dent. 2018 Feb;31(1):53-60. PubMed PMID: 29630806. 15: Suge T, Shibata S, Ishikawa K, Matsuo T. Fluoride activity of antibacterial ammonium hexafluorosilicate solution for the prevention of dentin caries. Am J Dent. 2018 Apr;31(2):103-106. PubMed PMID: 29630795. 16: Mishra J, Swain J, Mishra AK. Probing the temperature-dependent changes of the interfacial hydration and viscosity of Tween20 : cholesterol (1 : 1) niosome membrane using fisetin as a fluorescent molecular probe. Phys Chem Chem Phys. 2018 May 16;20(19):13279-13289. doi: 10.1039/c8cp00492g. PubMed PMID: 29610803. 17: Tüzüner T, Güçlü ZA, Hurt A, Coleman NJ, Nicholson JW. Release of antimicrobial compounds from a zinc oxide-chelate cement. J Oral Sci. 2018;60(1):24-28. doi: 10.2334/josnusd.16-0791. PubMed PMID: 29576578. 18: Wu K, Han F, Yuan Y, Liu Y, Ling E, Wang Q, Huang W. Effect of the insect phenoloxidase on the metabolism of l-DOPA. Arch Insect Biochem Physiol. 2018 Mar 23:e21457. doi: 10.1002/arch.21457. [Epub ahead of print] PubMed PMID: 29570828. 19: Mohammad ZH, Hasan AA, Kerth CR, Riley DG, Taylor TM. Increased Effectiveness of Microbiological Verification by Concentration-Dependent Neutralization of Sanitizers Used in Poultry Slaughter and Fabrication Allowing Salmonella enterica Survival. Foods. 2018 Mar 3;7(3). pii: E32. doi: 10.3390/foods7030032. PubMed PMID: 29510486; PubMed Central PMCID: PMC5867547. 20: de Almeida CM, da Rosa WLO, Meereis CTW, de Almeida SM, Ribeiro JS, da Silva AF, Lund RG. Efficacy of antimicrobial agents incorporated in orthodontic bonding systems: a systematic review and meta-analysis. J Orthod. 2018 Jun;45(2):79-93. doi: 10.1080/14653125.2018.1443872. Epub 2018 Mar 5. PubMed PMID: 29504867.