| Size | Price | |
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| Other Sizes |
| Enzyme Assay |
1. Sample pretreatment: 100 μL of human plasma was mixed with 20 μL of internal standard solution (deuterated Nicotinuric acid). Then 300 μL of acetonitrile was added to precipitate proteins, vortexed for 2 minutes, and centrifuged at 12,000×g for 10 minutes at 4°C. The supernatant (200 μL) was transferred to a new tube and evaporated to dryness under nitrogen at 40°C. The residue was reconstituted with 100 μL of mobile phase (5% acetonitrile in 0.1% formic acid aqueous solution) and centrifuged again (12,000×g, 5 minutes) before injection [1]
2. Chromatographic conditions: A C18 reverse-phase chromatographic column was used, with a column temperature of 35°C. The mobile phase consisted of solvent A (0.1% formic acid in water) and solvent B (acetonitrile), using a gradient elution program: 0-2 minutes, 5% B; 2-5 minutes, 5%-95% B; 5-7 minutes, 95% B; 7.1-10 minutes, 5% B. The flow rate was 0.3 mL/min, and the injection volume was 5 μL [1] 3. Mass spectrometric conditions: Electrospray ionization (ESI) source was used in positive ion mode. The multiple reaction monitoring (MRM) mode was employed to detect Nicotinuric acid and the internal standard. The MRM transitions were: Nicotinuric acid (m/z 193.1 → m/z 123.0, collision energy 22 eV); internal standard (m/z 198.1 → m/z 128.0, collision energy 23 eV). The ion source temperature was 350°C, and the capillary voltage was 3.5 kV [1] 4. Quantification method: A calibration curve was constructed using standard solutions of Nicotinuric acid (concentration range: 10-2000 ng/mL) spiked into blank human plasma. The linear regression coefficient (R²) was >0.998, with a lower limit of quantification (LLOQ) of 10 ng/mL. The intra-day and inter-day precision (RSD) were <8%, and the accuracy (recovery) was 92%-105% [1] |
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| ADME/Pharmacokinetics |
1. Metabolic sources and pathways: Niacin is the main metabolite of niacin (vitamin B3) in the human body. After oral administration of niacin, niacin is acetylated in the liver by N-acetyltransferases (NATs) to generate niacin[1]. 2. Pharmacokinetic parameters in humans (Reference [1]): After a single oral dose of 500 mg nicotinic acid in healthy volunteers (n=6), the pharmacokinetic parameters of nicotinic acid in plasma were as follows: (1) Time to peak concentration (Tmax): 1.8 ± 0.3 hours; (2) Maximum plasma concentration (Cmax): 1250 ± 180 ng/mL; (3) Plasma half-life (t1/2): 2.6 ± 0.4 hours; (4) Area under the plasma concentration-time curve (AUC0-∞): 3620 ± 450 ng·h/mL; (5) Excretion: Nicotinic acid is mainly excreted in urine, accounting for about 60% of the administered dose (detected by LC-MS/MS of 24-hour urine samples) [1]
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| References | |
| Additional Infomation |
N-nicotinylglycine is an N-acylglycine with nicotinyl substituent. It is a human urine metabolite.
Nicotinic acid has been reported to be detected in both Paraburkholderia and Lactobacillus calcarifer, and there is relevant data. 1. Chemical and physiological functions: Nicotinic acid (chemical formula: C7H6N2O3) is a water-soluble organic acid and the main metabolite of nicotinic acid. It does not have biological activity directly related to the physiological functions of nicotinic acid (e.g., coenzyme synthesis in energy metabolism), and mainly serves as a detoxification and excretion form of excess nicotinic acid in the human body[1] 2. Analytical method application: The LC-MS/MS method established in this study can simultaneously determine nicotinic acid and its metabolites (including nicotinic acid), and has high sensitivity, specificity and reproducibility. This method is used to evaluate the pharmacokinetic characteristics of nicotinic acid in the human body, especially to monitor the efficiency of nicotinic acid metabolism to nicotinic acid[1] |
| Molecular Formula |
C8H8N2O3
|
|---|---|
| Molecular Weight |
180.1607
|
| Exact Mass |
180.053
|
| CAS # |
583-08-4
|
| Related CAS # |
Nicotinuric acid-d4;1216737-36-8
|
| PubChem CID |
68499
|
| Appearance |
Off-white to light yellow solid powder
|
| Density |
1.3±0.1 g/cm3
|
| Boiling Point |
512.5±30.0 °C at 760 mmHg
|
| Melting Point |
256-2580C (dec.)
|
| Flash Point |
263.7±24.6 °C
|
| Vapour Pressure |
0.0±1.4 mmHg at 25°C
|
| Index of Refraction |
1.572
|
| LogP |
-0.55
|
| 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
|
| InChi Key |
ZBSGKPYXQINNGF-UHFFFAOYSA-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)
|
| Chemical Name |
2-(pyridine-3-carbonylamino)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) |
DMSO : ~100 mg/mL (~555.06 mM)
H2O : ~1.56 mg/mL (~8.66 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (13.88 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 (13.88 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 (13.88 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 1 mg/mL (5.55 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication (<60°C). |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.5506 mL | 27.7531 mL | 55.5062 mL | |
| 5 mM | 1.1101 mL | 5.5506 mL | 11.1012 mL | |
| 10 mM | 0.5551 mL | 2.7753 mL | 5.5506 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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