| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| Other Sizes |
| Targets |
Nicotinuric acid-d4 does not have a specific pharmacological target as it is a stable isotope-labeled tracer. Nicotinuric acid is a metabolite of nicotinic acid, which is involved in NAD+ biosynthesis and energy metabolism. The deuterated form is used to trace nicotinic acid metabolism, vitamin B3 pathways, and metabolic analysis.
|
|---|---|
| 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 vitro activity of Nicotinuric acid-d4 is measured as its utility as a tracer in metabolic studies. In cell culture and cell-free systems, the labeled nicotinuric acid is used to study nicotinic acid metabolism and NAD+ biosynthesis. Its "activity" is reflected in its metabolic incorporation and its ability to serve as a probe for studying vitamin B3 metabolism. |
| ln Vivo |
In vivo, Nicotinuric acid-d4 is used to study nicotinic acid metabolism, vitamin B3 pathways, and metabolic analysis in living organisms. Administered orally or intravenously, the labeled compound is absorbed, distributed to tissues, and metabolized through NAD+ biosynthesis pathways. These studies provide quantitative data on nicotinic acid metabolism and vitamin B3 homeostasis.
|
| Enzyme Assay |
In vitro enzyme assays with Nicotinuric acid-d4 typically involve using the compound as a tracer or internal standard in assays that measure nicotinic acid metabolism or related pathways. The deuterated standard is added to samples to control for extraction efficiency and ionization suppression in mass spectrometry analysis. Standard protocols involve spiking samples with the deuterated standard and analyzing by LC-MS/MS.
|
| Cell Assay |
Nicotinuric acid-d4 is not typically used in cell culture experiments as a bioactive compound. However, it may be employed as a tracer or internal standard in cell-based studies investigating nicotinic acid metabolism, NAD+ biosynthesis, or vitamin B3 pathways. Cells are cultured with nicotinuric acid or related compounds, and the deuterated standard is used to quantify metabolites by LC-MS/MS.
|
| Animal Protocol |
In vivo animal experiments with Nicotinuric acid-d4 typically involve using the compound as a tracer in metabolic studies of nicotinic acid or vitamin B3. Animals are administered nicotinuric acid or related compounds, and blood, urine, and tissue samples are collected. The deuterated standard is used to quantify nicotinuric acid and its metabolites by LC-MS/MS.
|
| ADME/Pharmacokinetics |
The pharmacokinetic (PK) properties of Nicotinuric acid-d4 are relevant to its use as an internal standard and tracer. The deuterated compound has essentially identical physicochemical properties to the unlabeled nicotinuric acid, making it an ideal internal standard for PK studies of nicotinic acid metabolism. It co-elutes with the analyte during chromatography and has similar ionization efficiency in mass spectrometry.
|
| Toxicity/Toxicokinetics |
Nicotinuric acid-d4 has a low toxicity profile consistent with its use as an analytical standard. Nicotinuric acid is a metabolite of nicotinic acid, a water-soluble vitamin. The deuterium label does not introduce additional toxicity. Standard laboratory safety practices are sufficient for handling. It should be stored in a tightly closed container in a cool, dry place.
|
| References |
|
| Additional Infomation |
Nicotinuric acid-d4 is a deuterated form of nicotinuric acid, an acyl glycine metabolite of nicotinic acid (vitamin B3). It is used as an internal standard and tracer in studies involving nicotinic acid metabolism, vitamin B3 pathways, and metabolic analysis. The compound is not a drug and has no therapeutic indications. It is available for laboratory research use only.
|
| Molecular Formula |
C8H4D4N2O3
|
|---|---|
| Molecular Weight |
184.19
|
| Exact Mass |
184.079
|
| CAS # |
1216737-36-8
|
| Related CAS # |
Nicotinuric acid;583-08-4
|
| PubChem CID |
46782479
|
| Appearance |
White to off-white solid powder
|
| LogP |
0.47
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
13
|
| Complexity |
206
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
[2H]C1=C(C(=C(N=C1[2H])[2H])C(=O)NCC(=O)O)[2H]
|
| InChi Key |
ZBSGKPYXQINNGF-RHQRLBAQSA-N
|
| InChi Code |
InChI=1S/C8H8N2O3/c11-7(12)5-10-8(13)6-2-1-3-9-4-6/h1-4H,5H2,(H,10,13)(H,11,12)/i1D,2D,3D,4D
|
| Chemical Name |
2-[(2,4,5,6-tetradeuteriopyridine-3-carbonyl)amino]acetic acid
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| 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
|
|---|---|
| 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 | 5.4292 mL | 27.1459 mL | 54.2918 mL | |
| 5 mM | 1.0858 mL | 5.4292 mL | 10.8584 mL | |
| 10 mM | 0.5429 mL | 2.7146 mL | 5.4292 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
