| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
N-Nitrosodiethanolamine-d8 does not have a biological target as it is an analytical standard. Its non-deuterated form, N-nitrosodiethanolamine, is a nitrosamine that is a potent carcinogen. Nitrosamines are known to form DNA adducts and cause mutations. The labeled compound is used as an internal standard for the quantification of nitrosamines in food, cosmetics, and environmental samples for safety monitoring.
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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].
The deuterated compound itself does not possess in vitro biological activity. N-Nitrosodiethanolamine is a carcinogen that is not pharmacologically active. The labeled compound is used as an analytical standard for the quantification of nitrosamines, not for evaluating its own biological activity. |
| ln Vivo |
N-Nitrosodiethanolamine-d8 does not have in vivo biological activity and is not used for therapeutic purposes. N-Nitrosodiethanolamine is a carcinogenic nitrosamine that is monitored in food, cosmetics, and environmental samples. The labeled compound is used as an internal standard for the quantification of nitrosamines in safety testing.
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| Enzyme Assay |
In vitro assays for N-nitrosodiethanolamine-d8 focus on its use as an analytical standard. A standard protocol involves preparing a solution of the compound in an appropriate solvent (e.g., methanol) and using it as an internal standard for LC-MS or GC-MS analysis of nitrosamines in food, cosmetic, or environmental samples. The compound is added to samples before extraction and analysis. Quantification is performed by monitoring specific mass transitions for the labeled and unlabeled compounds.
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| Cell Assay |
Cell-based experiments are not performed with N-nitrosodiethanolamine-d8, as it is an analytical standard. The compound is used exclusively in analytical chemistry for safety testing.
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| Animal Protocol |
In vivo animal studies are not conducted with N-nitrosodiethanolamine-d8. When used in toxicokinetic studies, the labeled compound serves as an internal standard for the quantification of nitrosamines in animal tissues or biological fluids.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of N-nitrosodiethanolamine-d8 are not characterized, as it is not a drug substance. N-Nitrosodiethanolamine is a carcinogen that is metabolized and excreted. The labeled compound is used as an internal standard for safety testing.
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| Toxicity/Toxicokinetics |
N-Nitrosodiethanolamine-d8 is not a therapeutic agent and has not been evaluated for toxicity in humans. N-Nitrosodiethanolamine is a known carcinogen. Standard laboratory safety precautions should be followed when handling this compound, including the use of gloves and safety glasses.
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| References | |
| Additional Infomation |
N-Nitrosodiethanolamine-d8 is a stable isotope-labeled internal standard used for the quantification of nitrosamines in food, cosmetics, and environmental samples. It is also known as NDELA-d8. The compound is used in analytical method development, quality control, and safety testing.
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| Molecular Formula |
C4H2D8N2O3
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|---|---|
| Molecular Weight |
142.18
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| Exact Mass |
142.119
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| CAS # |
1173019-53-8
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| PubChem CID |
46782564
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
375.9±27.0 °C at 760 mmHg
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| Flash Point |
181.1±23.7 °C
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| Vapour Pressure |
0.0±1.9 mmHg at 25°C
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| Index of Refraction |
1.499
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| LogP |
-1.89
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
9
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| Complexity |
72.2
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(CO)N(CCO)N=O
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| InChi Key |
YFCDLVPYFMHRQZ-SVYQBANQSA-N
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| InChi Code |
InChI=1S/C4H10N2O3/c7-3-1-6(5-9)2-4-8/h7-8H,1-4H2/i1D2,2D2,3D2,4D2
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| Chemical Name |
N,N-bis(1,1,2,2-tetradeuterio-2-hydroxyethyl)nitrous amide
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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) |
DMSO: 100 mg/mL (703.33 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (17.58 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 (17.58 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (17.58 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.0333 mL | 35.1667 mL | 70.3334 mL | |
| 5 mM | 1.4067 mL | 7.0333 mL | 14.0667 mL | |
| 10 mM | 0.7033 mL | 3.5167 mL | 7.0333 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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