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| Targets |
Benzalkonium bromide is a cationic surfactant that exhibits broad-spectrum antimicrobial activity, effective against bacteria, fungi, and viruses. Its mechanism of action involves disruption of microbial cell membranes, leading to cell lysis and death. The compound is a quaternary ammonium compound that interacts with the negatively charged cell membranes of microorganisms. It is used as a disinfectant, preservative, and surfactant.
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| ln Vitro |
A biochemical reagent called N-Benzyl-N,N-dimethyldodecan-1-aminium bromide can be utilized in life science research as an organic substance or biological material.
In vitro, benzalkonium bromide exhibits broad-spectrum antimicrobial activity against bacteria, fungi, and viruses. It is used as a preservative for ophthalmic, nasal, and parenteral products. The compound shows definitive activity against Gram-positive bacteria. It can be used as a disinfectant and antiseptic for disinfecting surgical instruments, skin, and wounds. The compound's antimicrobial activity is concentration-dependent. |
| ln Vivo |
In vivo, benzalkonium bromide is used as a preservative in pharmaceutical products and as a disinfectant for skin and wounds. It is effective as an antiseptic and is used to disinfect surgical instruments. The compound is employed in pharmaceuticals, personal care products, and cleaning agents. Its in vivo efficacy depends on the concentration and application method.
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| Enzyme Assay |
For in vitro antimicrobial activity assays, benzalkonium bromide is evaluated using standard broth microdilution or agar diffusion methods. Bacterial or fungal cultures are exposed to the compound at various concentrations (typically 0.1-1000 μg/mL) and incubated at 37°C for 18-24 hours. The minimum inhibitory concentration (MIC) is determined as the lowest concentration that inhibits visible microbial growth. The compound shows broad-spectrum activity against Gram-positive bacteria.
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| Cell Assay |
For in vitro cell-based assays, benzalkonium bromide can be evaluated for cytotoxicity against mammalian cell lines such as HeLa or HaCaT cells. Cells are seeded in 96-well plates and treated with the compound at concentrations ranging from 0.1-100 μg/mL for 24-48 hours. Cell viability is assessed using MTT or resazurin-based assays. The compound's cytotoxic effects are concentration-dependent due to its membrane-active surfactant properties.
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| Animal Protocol |
For in vivo animal studies, benzalkonium bromide is evaluated in skin irritation and wound healing models. The compound is applied topically to the skin of rodents at various concentrations, and skin irritation is assessed visually and histologically. In wound disinfection studies, infected wounds are treated with benzalkonium bromide solutions and bacterial burden is measured. Standard in vivo protocols involve appropriate control groups and endpoint measurements.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for benzalkonium bromide are limited. As a quaternary ammonium compound, it is poorly absorbed through intact skin and mucous membranes. When applied topically, the compound remains primarily at the application site. Systemic absorption is minimal. The compound is a cationic surfactant and is not intended for systemic administration. Specific pharmacokinetic parameters are not well-characterized in the literature.
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| Toxicity/Toxicokinetics |
Benzalkonium bromide is a quaternary ammonium compound that can cause skin and eye irritation at higher concentrations. The compound is used as a preservative at low concentrations (typically 0.01-0.02%) in pharmaceutical products. At higher concentrations, it can be toxic to cells and tissues. The compound should be handled with appropriate laboratory safety precautions. Specific LD₅₀ values and acute toxicity classifications are available from safety data sheets.
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| Additional Infomation |
Benzododecyl bromide is an organic bromide salt of benzododecyl. It is a cationic surfactant with antibacterial and disinfectant properties. It can be used as a surfactant, antimicrobial agent, and disinfectant. It is a quaternary ammonium salt and organic bromide salt containing benzododecyl. See also: benzododecyl (with active moiety); benzododecyl bromide; methylamine (component); benzalkonium chloride bromide (note moved to).
Benzalkonium bromide (CAS 7281-04-1) is an FDA-approved preservative for ophthalmic, nasal, and parenteral products. It is a cationic surfactant with broad-spectrum antimicrobial activity effective against bacteria, fungi, and viruses. The compound is used as a disinfectant and antiseptic for surgical instruments, skin, and wounds. It is also employed in personal care products and cleaning agents. The compound is available from chemical suppliers for pharmaceutical and research applications. |
| Molecular Formula |
C21H38BRN
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| Molecular Weight |
384.44
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| Exact Mass |
383.218
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| CAS # |
7281-04-1
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| Related CAS # |
Benzyldodecyldimethylammonium-d5 bromide
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| PubChem CID |
23705
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| Appearance |
Colorless to off-white <38°C solid powder,>43°C liquid
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| Melting Point |
50-55 °C
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| Flash Point |
110 °C
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| LogP |
3.187
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
13
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| Heavy Atom Count |
23
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| Complexity |
240
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[Br-].[N+](C([H])([H])[H])(C([H])([H])[H])(C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
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| InChi Key |
KHSLHYAUZSPBIU-UHFFFAOYSA-M
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| InChi Code |
InChI=1S/C21H38N.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1
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| Chemical Name |
benzyl-dodecyl-dimethylazanium;bromide
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO: 100 mg/mL (260.12 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.50 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (6.50 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.6012 mL | 13.0059 mL | 26.0119 mL | |
| 5 mM | 0.5202 mL | 2.6012 mL | 5.2024 mL | |
| 10 mM | 0.2601 mL | 1.3006 mL | 2.6012 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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