| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
The unlabeled parent compound, Dimethoate, targets acetylcholinesterase (AChE) enzymes. By inhibiting AChE, it enhances neurotransmitter activity at nerve synapses, leading to paralysis and death in insects. The labeled compound, as an internal standard, does not itself target AChE but is used for analytical quantification of the unlabeled form.
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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 effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
In cell-free assays, Dimethoate-d6 exhibits no specific enzymatic or biological activity. Its primary role is to act as a surrogate in chemical analysis. It is a deuterated labeled organophosphate insecticide with a primary function as an anti-cholinesterase, but this activity is associated with the parent compound, not the labeled standard. |
| ln Vivo |
There is no specific in vivo activity data for the labeled standard itself, as it is not a therapeutic agent. The parent compound, Dimethoate, is an orally active acetylcholinesterase inhibitor that induces reactive oxygen species (ROS), DNA damage, and cell apoptosis in vivo. The labeled form is used to study these effects by enabling accurate quantification in biological matrices.
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| Enzyme Assay |
Dimethoate-d6 is not used for direct enzyme binding studies. A typical LC-MS/MS protocol involves spiking a known concentration of Dimethoate-d6 into a sample containing the native analyte. Due to its nearly identical chemical properties, it co-elutes chromatographically and experiences similar matrix effects, allowing for highly accurate quantification by mass spectrometry.
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| Cell Assay |
There is no direct cell-based protocol for the labeled standard. It is applied as an internal standard in studies where cells are treated with unlabeled Dimethoate. The labeled standard is then added to the cell lysates or culture medium during LC-MS/MS sample preparation to quantify the uptake and metabolism of Dimethoate by the cells.
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| Animal Protocol |
There is no standard in vivo animal protocol for the labeled standard alone. In toxicological studies, animals are dosed with unlabeled Dimethoate, and biological fluids (plasma, urine, tissues) are collected. The deuterated standard is then added to these samples to correct for extraction efficiency and matrix effects during LC-MS/MS analysis to determine the toxicokinetic parameters of Dimethoate.
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| ADME/Pharmacokinetics |
As a deuterium-labeled isotope, Dimethoate-d6 is not used for its own PK profile. It is formulated as a solution in organic solvents like acetonitrile or methanol, with typical concentrations of 10-100 ug/mL for analytical purposes. As an internal standard, it is added to samples at a known fixed concentration.
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| Toxicity/Toxicokinetics |
The toxicity of the labeled Dimethoate-d6 itself is expected to be comparable to the unlabeled parent compound if encountered in large quantities. Dimethoate is an organophosphate with significant toxicological risks, primarily through AChE inhibition. However, as an analytical reference standard used in trace amounts, it is handled with standard safety precautions.
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| References | |
| Additional Infomation |
Dimethoate-d6 is a deuterium-labeled internal standard essential for robust and precise toxicological research. The six deuterium atoms provide a distinct mass shift for LC-MS/MS quantification. Its use is critical for method validation and regulatory compliance in pesticide residue analysis. This product is for research use only and is not for diagnostic or therapeutic applications.
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| Molecular Formula |
C5H6D6NO3PS2
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|---|---|
| Molecular Weight |
235.29
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| Exact Mass |
235.037
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| CAS # |
1219794-81-6
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| Related CAS # |
Dimethoate;60-51-5
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| PubChem CID |
71777128
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Index of Refraction |
1.532
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| LogP |
0.48
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
12
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| Complexity |
191
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])([2H])OP(=S)(OC([2H])([2H])[2H])SCC(=O)NC
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| InChi Key |
MCWXGJITAZMZEV-XERRXZQWSA-N
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| InChi Code |
InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)/i2D3,3D3
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| Chemical Name |
2-[bis(trideuteriomethoxy)phosphinothioylsulfanyl]-N-methylacetamide
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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 | 4.2501 mL | 21.2504 mL | 42.5007 mL | |
| 5 mM | 0.8500 mL | 4.2501 mL | 8.5001 mL | |
| 10 mM | 0.4250 mL | 2.1250 mL | 4.2501 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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