| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
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| Targets |
3-Pyridineacetic acid is an endogenous metabolite that targets metabolic pathways involved in energy metabolism, DNA repair, and cellular signaling. As a homologue of nicotinic acid, it participates in niacin-related metabolic pathways. The compound is a breakdown product of nicotine and other tobacco alkaloids. It is used as a building block in the synthesis of bioactive compounds with anticancer, antiparasitic, and neuroprotective activities. Its water solubility (75 g/L at 25°C) facilitates its use in aqueous systems.
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|---|---|
| ln Vitro |
In vitro, 3-Pyridineacetic acid is used as a building block in the synthesis of 2-Aryl 1,2-Dihydro-4(3H)-quinazoline derivatives with anticancer and antiparasitic activities. The compound is an endogenous metabolite involved in energy metabolism. It is a breakdown product of nicotine and other tobacco alkaloids. 3-Pyridineacetic acid serves as an analytical standard for metabolic studies. Its role in niacin-related metabolic pathways has been characterized in various in vitro systems.
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| ln Vivo |
In vivo, 3-Pyridineacetic acid is a breakdown product of nicotine and other tobacco alkaloids. It is a water-soluble vitamin that plays an essential role in energy metabolism, DNA repair, and cellular signaling. The compound is used in the synthesis of bioactive molecules with potential therapeutic applications. As an endogenous metabolite, its levels reflect nicotine exposure and metabolic status. Further in vivo studies have evaluated its role in metabolism and its potential as a biomarker for tobacco exposure.
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| Enzyme Assay |
3-Pyridineacetic acid enzyme assays involve measuring its role in metabolic pathways. As a homologue of nicotinic acid, it may be involved in niacin-related enzyme reactions. Enzyme activity is assessed by monitoring substrate conversion or metabolite production. For analytical applications, the compound is used as a standard in LC-MS/MS or other analytical methods. Assays are performed in appropriate buffer systems with positive controls such as nicotinic acid. Kinetic parameters may be determined for relevant enzymes.
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| Cell Assay |
3-Pyridineacetic acid cell-based assays are conducted in various cell types for metabolic studies. Cells are cultured in appropriate media at 37°C with 5% CO2 and treated with 3-Pyridineacetic acid at varying concentrations. Metabolic effects are assessed by measuring energy metabolism markers, DNA repair activity, or cellular signaling. Cell viability is assessed by standard assays. For synthesis studies, the compound is used as a starting material for the production of bioactive derivatives. Experiments are performed with appropriate controls.
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| Animal Protocol |
3-Pyridineacetic acid in vivo studies are conducted in animal models for metabolic and toxicological research. Animals are administered the compound via oral administration or injection. Metabolic effects are assessed by measuring energy metabolism markers, DNA repair activity, or cellular signaling. For toxicological studies, animals are exposed to the compound at varying doses and monitored for adverse effects. The compound is also used as a biomarker for nicotine exposure in tobacco research. Animals are monitored for clinical signs. Tissues and blood samples are collected for biochemical analysis at study endpoints. Studies are conducted in accordance with institutional animal care guidelines.
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| ADME/Pharmacokinetics |
Metabolism / Metabolites
3-Pyridineacetic acid is a known metabolite of nicotine third-hand smoke. 3-Pyridineacetic acid (MW 137.14 g/mol, C7H7NO2) is a small water-soluble compound. It has a melting point of 144°C and a boiling point of 302°C. The compound is soluble in water (75 g/L at 25°C). It is stable under recommended storage conditions. 3-Pyridineacetic acid is also known as 3-pyridylacetic acid, Lioxone, and 3PAA. Pharmacokinetic parameters such as half-life, bioavailability, and tissue distribution would be determined in species-specific studies. The compound is typically used as a biochemical reagent and analytical standard. |
| Toxicity/Toxicokinetics |
3-Pyridineacetic acid is generally well-tolerated as an endogenous metabolite. The compound is a homologue of nicotinic acid (niacin) with established safety profiles. No significant adverse effects have been reported in the available literature at research-use concentrations. The compound is intended for research use only. Standard laboratory safety practices should be employed when handling this compound. Comprehensive toxicological evaluation would be required for therapeutic development.
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| References | |
| Additional Infomation |
3-Pyridineacetic acid is a monocarboxylic acid, a product of acetic acid with a pyridine-3-yl substitution. It is a metabolite of nicotine and other tobacco alkaloids, functioning as an exogenous metabolite in the human body. It belongs to the pyridine class of compounds and is also a monocarboxylic acid.
3-Pyridineacetic acid is a higher homologue of nicotinic acid and a key breakdown product of nicotine and other tobacco alkaloids. It plays an essential role in energy metabolism, DNA repair, and cellular signaling. The compound is used in the synthesis of bioactive molecules with anticancer, antiparasitic, and neuroprotective activities. 3-Pyridineacetic acid is also known as 3-pyridylacetic acid, Lioxone, and 3PAA. All applications are limited to non-human research use. |
| Molecular Formula |
C7H7NO2
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|---|---|
| Molecular Weight |
137.13598
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| Exact Mass |
137.047
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| CAS # |
501-81-5
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| PubChem CID |
108
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
301.6±17.0 °C at 760 mmHg
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| Melting Point |
144-146°C
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| Flash Point |
136.2±20.9 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.557
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| LogP |
0.01
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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 |
2
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| Heavy Atom Count |
10
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| Complexity |
125
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
WGNUNYPERJMVRM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H7NO2/c9-7(10)4-6-2-1-3-8-5-6/h1-3,5H,4H2,(H,9,10)
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| Chemical Name |
2-pyridin-3-ylacetic 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 |
| 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 : ~20 mg/mL (~145.84 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2 mg/mL (14.58 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 20.0 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 mg/mL (14.58 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 20.0 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 mg/mL (14.58 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 | 7.2918 mL | 36.4591 mL | 72.9182 mL | |
| 5 mM | 1.4584 mL | 7.2918 mL | 14.5836 mL | |
| 10 mM | 0.7292 mL | 3.6459 mL | 7.2918 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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