| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
N-Acetyl-S-(N-methylcarbamoyl)-L-cysteine-d3 does not target a specific protein. The unlabeled compound is a metabolite of DMF/NMF, excreted in urine. Its formation involves glutathione conjugation and subsequent enzymatic processing. The labeled form is used as an internal standard for quantifying exposure to DMF/NMF in occupational health settings.
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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 [60].
The unlabeled compound is a biomarker of exposure to DMF and NMF, used to monitor occupational exposure in workers in the synthetic leather and chemical industries. It is formed via the mercapturic acid pathway. No intrinsic bioactivity or therapeutic effect is known for this compound. |
| ln Vivo |
Dedicated in vivo activity studies are not performed for this metabolite. It is used as a biomarker in occupational health studies. Levels of the unlabeled metabolite in urine are measured to assess the extent of exposure to DMF/NMF. The labeled compound serves as an internal standard in these analytical methods.
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| Enzyme Assay |
In vitro assays are not typically performed for this compound. It is a urinary metabolite used for exposure monitoring. The analytical method involves LC-MS/MS. The labeled compound is spiked into urine samples as an internal standard before analysis to correct for matrix effects and extraction efficiency.
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| Cell Assay |
Cell-based assays are not performed for this compound. The compound is a metabolite and is not used in cell culture studies. Its role is solely as an analytical standard for quantifying exposure biomarkers in urine from workers or animal models exposed to DMF/NMF.
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| Animal Protocol |
In animal studies, animals (typically rats) are exposed to DMF or NMF by inhalation or oral gavage. Urine is collected over a defined period. N-Acetyl-S-(N-methylcarbamoyl)-L-cysteine-d3 is added to the urine samples as an internal standard. The samples are then extracted and analyzed by LC-MS/MS.
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| ADME/Pharmacokinetics |
As an analytical standard, N-Acetyl-S-(N-methylcarbamoyl)-L-cysteine-d3 is not administered to animals itself. The PK of DMF/NMF exposure is monitored by measuring the unlabeled metabolite levels in urine. The terminal half-life of the metabolite is typically a few hours. Detailed PK parameters are not reported.
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| Toxicity/Toxicokinetics |
N-Acetyl-S-(N-methylcarbamoyl)-L-cysteine is a normal human metabolite formed from exposure to environmental or occupational chemicals. At physiological levels, it is non-toxic. The labeled compound is used at trace levels as an internal standard and poses negligible toxicity risk. Standard laboratory safety precautions apply.
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| References | |
| Additional Infomation |
N-Acetyl-S-(N-methylcarbamoyl)-L-cysteine-d3 is a stable isotope-labeled compound used as an internal standard for the quantification of DMF/NMF exposure. It is an important tool in occupational and environmental health research for biomonitoring. It is strictly for research use.
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| Molecular Formula |
C7N2O4SH12
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|---|---|
| Molecular Weight |
223.2647
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| Exact Mass |
223.07
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| CAS # |
131685-10-4
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| PubChem CID |
46780036
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| Appearance |
Typically exists as solid at room temperature
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| Melting Point |
151-152°C
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| LogP |
-0.6
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
14
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| Complexity |
244
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C(NC(C(O)=O)CSC(=O)NC)(=O)C([2H])([2H])[2H]
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| InChi Key |
MXRPNYMMDLFYDL-MQBGRFPLSA-N
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| InChi Code |
InChI=1S/C7H12N2O4S/c1-4(10)9-5(6(11)12)3-14-7(13)8-2/h5H,3H2,1-2H3,(H,8,13)(H,9,10)(H,11,12)/t5-/m0/s1/i1D3
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| Chemical Name |
(2R)-3-(methylcarbamoylsulfanyl)-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid
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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 | 4.4791 mL | 22.3954 mL | 44.7908 mL | |
| 5 mM | 0.8958 mL | 4.4791 mL | 8.9582 mL | |
| 10 mM | 0.4479 mL | 2.2395 mL | 4.4791 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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