| Size | Price | Stock | Qty |
|---|---|---|---|
| 10mg |
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| Other Sizes |
| Targets |
Benzethonium chloride, the non‑deuterated parent compound, targets nicotinic acetylcholine receptors (nAChRs), specifically the human recombinant alpha7 and alpha4beta2 subtypes. Inhibition of these neuronal receptors underlies its antibacterial, antiseptic and anticancer activities.
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| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an impact on a drug's pharmacokinetics and metabolic profile, it has drawn attention [1].
The non‑deuterated parent compound inhibits human recombinant alpha7 and alpha4beta2 nAChRs in Xenopus oocytes, with antibacterial, antisepsis and anticancer activities. The deuterium labeling does not alter the intrinsic activity; it allows quantitation during drug development. |
| ln Vivo |
Benzethonium chloride (non‑deuterated) ablates the tumor‑forming ability of FaDu cells and delays the growth of xenograft tumors in vivo. The deuterated analogue is used primarily for pharmacokinetic studies rather than for therapeutic in vivo efficacy assessments.
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| Enzyme Assay |
A general screening protocol for nAChR inhibitors: Human recombinant alpha7 and alpha4beta2 nAChRs expressed in Xenopus laevis oocytes are exposed to the test compound (1‑100 uM). Receptor currents are recorded using two‑electrode voltage‑clamp. Data are normalised to controls and IC50 values are calculated from concentration‑response curves.
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| Cell Assay |
A general cell‑based protocol for antimicrobial compounds: Bacterial (e.g., E. coli, S. aureus) or yeast suspensions are cultured in suitable broth. Test compound (1‑200 uM) is added and incubated at 37degC for 24 h. Growth inhibition is determined by measuring optical density at 600 nm or by colony‑forming unit (CFU) counting.
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| Animal Protocol |
A general animal protocol for pharmacokinetics: Male SD rats (n=3/group) are administered the deuterated compound intravenously or orally (1‑10 mg/kg). Blood samples are collected at predetermined time points (0.5, 1, 2, 4, 6, 8, 12, 24 h). Plasma concentrations are analysed by LC‑MS/MS to calculate PK parameters (t1/2, Cmax, AUC, bioavailability).
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| ADME/Pharmacokinetics |
As a stable isotope‑labeled compound, Benzethonium‑d7 chloride exhibits similar absorption, distribution, metabolism and excretion (ADME) profiles to the non‑deuterated form. The substitution of hydrogen with deuterium can alter metabolic stability, potentially increasing half‑life and reducing clearance through a primary kinetic isotope effect.
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| Toxicity/Toxicokinetics |
The non‑deuterated Benzethonium chloride has low mammalian oral toxicity (LD50 ~500 mg/kg in rats) but is irritating to eyes and skin. It is a common disinfectant and preservative at 0.01‑0.02% concentrations. As a research‑grade isotopologue, similar toxicity is expected, but full toxicological characterisation is not available for the deuterated form.
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| References |
[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216.
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| Additional Infomation |
Deuterated compounds are widely used as internal standards in LC‑MS and NMR quantitation to improve accuracy and precision. Benzethonium‑d7 chloride is for research use only, not approved for human therapeutic use. Its labelled benzyl and methyl groups provide multiple mass tags for tracing in metabolic and environmental studies.
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| Molecular Formula |
C27H35D7CLNO2
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|---|---|
| Molecular Weight |
455.12
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| Related CAS # |
Benzethonium chloride;121-54-0
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| Appearance |
Typically exists as solid at room temperature
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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 |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1972 mL | 10.9861 mL | 21.9722 mL | |
| 5 mM | 0.4394 mL | 2.1972 mL | 4.3944 mL | |
| 10 mM | 0.2197 mL | 1.0986 mL | 2.1972 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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