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Benzyldodecyldimethylammonium chloride dihydrate

Cat No.:V35078 Purity: ≥98%
Benzyldodecyldimethylammonium chloride dihydrate is a quaternary ammonium compound (QAC) that could be utilized as a biocide to target drug-resistant bacteria such as methicillin-resistant Staphylococcus aureus (MRSA) and multidrug-resistant (MDR) Pseudomonas aeruginosa, etc.
Benzyldodecyldimethylammonium chloride dihydrate
Benzyldodecyldimethylammonium chloride dihydrate Chemical Structure CAS No.: 147228-80-6
Product category: Bacterial
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
250mg
Other Sizes
Official Supplier of:
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Product Description
Benzyldodecyldimethylammonium chloride dihydrate is a quaternary ammonium compound (QAC) that could be utilized as a biocide to target drug-resistant bacteria such as methicillin-resistant Staphylococcus aureus (MRSA) and multidrug-resistant (MDR) Pseudomonas aeruginosa, etc. Benzyldodecyldimethylammonium chloride dihydrate is an antimicrobial compound whose bacteriostatic or bactericidal properties depend on the concentration.
Biological Activity I Assay Protocols (From Reference)
Targets
MIC: 20 mg/L (P. fluorescens)[1]
ln Vitro
The percentage population of dead rat thymocyte cells varies in a dose-dependent manner in response to benzoyldodecyldimethylammonium chloride dihydrate (1–10 μM; 2 hours)[1]. With a MIC of 20 mg/L, benzoyldodecyldimethylammonium chloride dihydrate (0–40 mg/L; 0–24 hours) inhibits P. fluorescens. Cells grow in the same way as the control at 5 mg/L. The growth profile differs from the control at doses of 10 and 15 mg/L, and the cells don't begin to develop until eight hours after adaption. BDMDAC inhibits cell proliferation at doses ≥20 mg/L[2]. As evidenced by phenomena like membrane disruption and loss of membrane integrity with subsequent leakage of vital intracellular constituents, benzododecyldimethylammonium chloride dihydrate exhibits strong concentration-dependent interactions with cell surfaces and binds to microbial membrane surfaces via ionic and hydrophobic interactions[2]. These interactions promote significant and irreversible changes in the structure of the cell.
Cell Assay
Cell Viability Assay[1]
Cell Types: Rat thymocyte cells
Tested Concentrations: 0, 5, 10, 15, 20 and 40 mg/L
Incubation Duration: 2 hrs (hours)
Experimental Results: Resulted in cell death. Cell Proliferation Assay[1]
Cell Types: Bacterial P. fluorescen
Tested Concentrations: 0, 5, 10, 15, 20 and 40 mg/L
Incubation Duration: 2 hrs (hours)
Experimental Results: Inhibited bacterial growth in a time and dose dependent manner.
References
[1]. Sadegh Ghanbar, et al. New Generation of N-Chloramine/QAC Composite Biocides: Efficient Antimicrobial Agents To Target Antibiotic-Resistant Bacteria in the Presence of Organic Load. ACS Omega. 2018 Aug 22;3(8):9699-9709.
[2]. Tsuyoshi Mitani, et al. Zinc-related actions of sublethal levels of benzalkonium chloride: Potentiation of benzalkonium cytotoxicity by zinc. Chem Biol Interact. 2017 Apr 25;268:31-36.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C21H42CLNO2
Molecular Weight
376.02
CAS #
147228-80-6
Appearance
Typically exists as solids (or liquids in special cases) at room temperature
SMILES
[Cl-].O.O.[N+](C)(C)(CC1C=CC=CC=1)CCCCCCCCCCCC
HS Tariff Code
2934.99.9001
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 (e.g. under nitrogen), 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)
Solubility Data
Solubility (In Vitro)
DMSO : 100 mg/mL (265.94 mM)
H2O : ≥ 100 mg/mL (265.94 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.65 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 (6.65 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.

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Solubility in Formulation 3: ≥ 2.5 mg/mL (6.65 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 2.6594 mL 13.2972 mL 26.5943 mL
5 mM 0.5319 mL 2.6594 mL 5.3189 mL
10 mM 0.2659 mL 1.3297 mL 2.6594 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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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