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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Nicotinamide-d4 itself does not have a traditional biological target; it is a stable isotope-labeled internal standard. The parent compound Nicotinamide is a form of vitamin B3 that serves as a precursor to the coenzymes NAD and NADP, which are essential for redox reactions in metabolism. Nicotinamide-d4 is used to track and quantify nicotinamide in biological samples for metabolic studies and pharmaceutical research.
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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].
Nicotinamide-d4 does not exhibit direct in vitro biological activity as it is an analytical standard. However, the parent compound Nicotinamide is a vitamin that plays essential roles in cellular metabolism as a precursor to NAD and NADP. Nicotinamide-d4 is used as an internal standard to accurately measure nicotinamide concentrations in biological samples, facilitating research on vitamin B3 metabolism and related biochemical pathways. |
| ln Vivo |
Nicotinamide-d4 is not intended for in vivo administration as a therapeutic agent; it is used as an analytical standard. The in vivo activity of the parent compound Nicotinamide is well documented as a vitamin with roles in metabolism and cellular energy production. Nicotinamide-d4 is utilized in pharmacokinetic and metabolic studies to track the distribution, metabolism, and excretion of nicotinamide in biological systems.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for Nicotinamide-d4 are not typically performed, as it is an analytical standard. Instead, the compound is used in analytical method development and validation. Quality control assays involve HPLC or LC-MS/MS to verify isotopic purity (≥98 atom % D) and chemical purity. The compound is tested for stability under various storage conditions. It appears as a solid and is soluble in water.
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| Cell Assay |
Nicotinamide-d4 itself is not tested in in vitro cellular assays for biological activity, as it is an analytical standard. Its utility is assessed by its performance as an internal standard in analytical workflows, including its ability to co-elute with the parent compound and provide accurate quantification in LC-MS/MS or GC-MS analyses. The compound is used in quality control applications for nicotinamide analysis.
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| Animal Protocol |
In vivo animal studies for Nicotinamide-d4 are not conducted as therapeutic efficacy studies. Instead, the compound is administered to animals as a tracer in pharmacokinetic studies to quantify the parent compound nicotinamide in plasma, tissues, and excreta. These studies help determine the absorption, distribution, metabolism, and excretion (ADME) profile of nicotinamide. The labeled compound allows for precise tracking and identification of nicotinamide in biological matrices.
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| ADME/Pharmacokinetics |
Nicotinamide-d4 has a molecular weight of approximately 126.15 and a molecular formula of C6H2D4N2O. It has a purity of ≥98% and an isotopic enrichment of ≥98 atom % D. It appears as a solid. The compound is stable under recommended storage conditions. It is intended for research use only and is not for human consumption.
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| Toxicity/Toxicokinetics |
The toxicity profile of Nicotinamide-d4 is not extensively characterized, as it is an analytical standard rather than a therapeutic agent. The parent compound Nicotinamide is a vitamin that is generally recognized as safe in appropriate doses. Nicotinamide-d4 is intended for research use only and is not approved for clinical use. Standard laboratory safety precautions should be followed when handling this compound.
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| References |
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| Additional Infomation |
Nicotinamide-d4 (CAS 347841-88-7) is the deuterium-labeled form of Nicotinamide. Nicotinamide is the amide form of vitamin B3 and is involved in numerous metabolic processes as a precursor to NAD and NADP. This stable isotope-labeled compound is intended for use as an internal standard for the quantification of nicotinamide by GC- or LC-MS in pharmacokinetic and metabolic studies. It is intended for research use only and is not approved for clinical use.
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| Molecular Formula |
C6H2D4N2O
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|---|---|
| Molecular Weight |
126.15
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| Exact Mass |
126.073
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| CAS # |
347841-88-7
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| Related CAS # |
Nicotinamide;98-92-0
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| PubChem CID |
15554909
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| Appearance |
White to off-white solid powder
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| Density |
1.245g/cm3
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| Boiling Point |
334.411ºC at 760 mmHg
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| Melting Point |
125-127ºC
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| Flash Point |
156.047ºC
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| Index of Refraction |
1.57
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| LogP |
0.88
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
9
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| Complexity |
114
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C1=C(C(=C(N=C1[2H])[2H])C(=O)N)[2H]
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| InChi Key |
DFPAKSUCGFBDDF-RHQRLBAQSA-N
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| InChi Code |
InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)/i1D,2D,3D,4D
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| Chemical Name |
2,4,5,6-tetradeuteriopyridine-3-carboxamide
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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 (792.71 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (19.82 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 (19.82 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 (19.82 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 | 7.9271 mL | 39.6354 mL | 79.2707 mL | |
| 5 mM | 1.5854 mL | 7.9271 mL | 15.8541 mL | |
| 10 mM | 0.7927 mL | 3.9635 mL | 7.9271 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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