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| Targets |
Niacin-d4 itself does not have a traditional biological target; it is a stable isotope-labeled internal standard. The parent compound Niacin (Nicotinic acid) is a member of the B vitamin family. Niacin is involved in numerous metabolic processes as a precursor to the coenzymes NAD and NADP. Niacin-d4 serves as a valuable tool in tracer studies and metabolic research for quantifying niacin in biological samples.
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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].
Niacin-d4 does not exhibit direct in vitro biological activity as it is an analytical standard. However, the parent compound Niacin is a vitamin that serves as a precursor to NAD and NADP, which are essential coenzymes in redox reactions. Niacin-d4 is used as an internal standard to accurately measure niacin concentrations in biological samples, facilitating research on vitamin B metabolism and related biochemical pathways. |
| ln Vivo |
Niacin-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 Niacin is well documented as a vitamin with roles in metabolism and cardiovascular health. Niacin-d4 is utilized in pharmacokinetic and metabolic studies to track the distribution, metabolism, and excretion of niacin in biological systems.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for Niacin-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 is a white to off-white solid and is soluble in water.
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| Cell Assay |
Niacin-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 niacin analysis.
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| Animal Protocol |
In vivo animal studies for Niacin-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 niacin in plasma, tissues, and excreta. These studies help determine the absorption, distribution, metabolism, and excretion (ADME) profile of niacin. The labeled compound allows for precise tracking and identification of niacin in biological matrices.
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| ADME/Pharmacokinetics |
Niacin-d4 has a molecular formula of C6HD4NO2 and a molecular weight of 127.13. It has a purity of ≥98% and an isotopic enrichment of ≥98 atom % D. It is a white to off-white solid with an odorless characteristic and a pH of 3.4 at 10 g/L at 20°C. 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 Niacin-d4 is not extensively characterized, as it is an analytical standard rather than a therapeutic agent. The parent compound Niacin is a vitamin that is generally recognized as safe in appropriate doses. Niacin-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 | |
| Additional Infomation |
Nicotinic acid-d4 is a type of nicotinic acid and a deuterated compound.
Niacin-d4 (CAS 66148-15-0), also known as Nicotinic acid-d4 or Vitamin B3-d4, is the deuterium-labeled form of Niacin. Niacin is a vitamin and is part of the vitamin B group. This stable isotope-labeled compound is intended for use as an internal standard for the quantification of niacin by GC- or LC-MS. It is used to track niacin's metabolic pathways, absorption, distribution, and excretion. It is intended for research use only and is not approved for clinical use. |
| Molecular Formula |
C6HD4NO2
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|---|---|
| Molecular Weight |
127.13
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| Exact Mass |
127.057
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| CAS # |
66148-15-0
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| Related CAS # |
Niacin;59-67-6
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| PubChem CID |
12198448
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| Appearance |
White to off-white solid powder
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| Density |
1.335g/cm3
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| Boiling Point |
292.5ºC at 760 mmHg
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| Melting Point |
236-239ºC(lit.)
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| Flash Point |
130.7ºC
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| Index of Refraction |
1.57
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| LogP |
0.779
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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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)O)[2H]
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| InChi Key |
PVNIIMVLHYAWGP-RHQRLBAQSA-N
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| InChi Code |
InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/i1D,2D,3D,4D
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| Chemical Name |
2,4,5,6-tetradeuteriopyridine-3-carboxylic 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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 : 83.33 mg/mL (655.47 mM)
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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 | 7.8660 mL | 39.3298 mL | 78.6596 mL | |
| 5 mM | 1.5732 mL | 7.8660 mL | 15.7319 mL | |
| 10 mM | 0.7866 mL | 3.9330 mL | 7.8660 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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