| Size | Price | |
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| Other Sizes |
| Targets |
3-Aminoisonicotinic acid does not have a defined pharmacological target of its own, as it is a synthetic intermediate. As an aminopyridinecarboxylic acid, it serves as a building block for the synthesis of various biologically active compounds. The amino and carboxylic acid groups provide handles for further derivatization, enabling the synthesis of heterocycles and other drug-like molecules.
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| ln Vitro |
In vitro, 3-aminoisonicotinic acid is primarily used as a chemical reagent and synthetic intermediate. As an aminopyridinecarboxylic acid, it is a building block for the construction of various organic compounds. The amino group can be acylated, alkylated, or converted to other functional groups. The carboxylic acid can be esterified, amidated, or reduced. The compound is used in medicinal chemistry for the synthesis of drug-like molecules.
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| ln Vivo |
In vivo activity data for 3-aminoisonicotinic acid itself are not available, as the compound is not intended for direct in vivo administration. Rather, it is a precursor used in the synthesis of drug candidates that are subsequently evaluated in animal models. The compound's in vivo relevance is indirect, through the biological activities of the final pharmaceutical compounds derived from its aminopyridine scaffold.
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| Enzyme Assay |
For in vitro chemical synthesis, 3-aminoisonicotinic acid is used as a building block for the preparation of various compounds. The amino group can be acylated using acid chlorides or coupling reagents to form amides. The carboxylic acid can be esterified with alcohols to form esters, or coupled with amines to form amides. The compound can also be used in heterocycle synthesis. Standard protocols involve reacting the compound with appropriate reagents under controlled conditions.
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| Cell Assay |
For in vitro cell-based experiments, 3-aminoisonicotinic acid is used as an intermediate in the synthesis of compounds that are tested in cell viability, proliferation, and cytotoxicity assays. The compound itself is not typically evaluated in cell-based assays. Standard cell culture protocols for test compounds synthesized from this intermediate involve dissolving the final product in DMSO and diluting to working concentrations in appropriate cell culture medium.
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| Animal Protocol |
In vivo animal studies using 3-aminoisonicotinic acid are conducted on the final drug compounds synthesized from it, not on the intermediate itself. For pharmaceutical candidates derived from this building block, efficacy studies would typically be performed in mouse models of the relevant disease. Standard in vivo protocols involve administration to rodents via oral gavage or intraperitoneal injection, with appropriate pharmacokinetic and pharmacodynamic endpoints.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 3-aminoisonicotinic acid as a standalone compound are not characterized in the literature. The compound has a molecular weight of 138.12 g/mol, which is very favorable for oral bioavailability. As a polar amino acid derivative, it is expected to have good water solubility and limited membrane permeability, but may be absorbed via peptide transporters. Empirical pharmacokinetic data are not available.
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| Toxicity/Toxicokinetics |
3-Aminoisonicotinic acid is a research chemical and should be handled with appropriate laboratory safety precautions. As an aminopyridinecarboxylic acid, it may cause skin and eye irritation. The compound is for research use only and not for human therapeutic or diagnostic applications. Specific LD₅₀ values, acute toxicity classifications, and chronic toxicity data are not available in the public literature. Standard safety practices include the use of personal protective equipment and working in a fume hood.
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| Additional Infomation |
3-Aminoisonicotinic acid (3-Aminopyridine-4-carboxylic acid, CAS 7579-20-6) is primarily a research-grade chemical intermediate, not an FDA-approved pharmaceutical drug. Its primary applications are as a building block for organic synthesis and as a biochemical reagent for life science research. No clinical trials or approved therapeutic indications exist for this compound.
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| Molecular Formula |
C6H6N2O2
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|---|---|
| Molecular Weight |
138.12
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| Exact Mass |
138.042
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| CAS # |
7579-20-6
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| PubChem CID |
459531
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| Appearance |
Light yellow to brown solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
497.1±30.0 °C at 760 mmHg
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| Melting Point |
300°C
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| Flash Point |
254.4±24.6 °C
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| Vapour Pressure |
0.0±1.3 mmHg at 25°C
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| Index of Refraction |
1.649
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| LogP |
0.39
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
10
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| Complexity |
138
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(O)C1=CC=NC=C1N
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| InChi Key |
FYEQKMAVRYRMBL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H6N2O2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,7H2,(H,9,10)
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| Chemical Name |
3-aminopyridine-4-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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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: ~5 mg/mL (~36.2 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 0.5 mg/mL (3.62 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (5.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 0.5 mg/mL (3.62 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 DMSO stock solution (5.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.2401 mL | 36.2004 mL | 72.4008 mL | |
| 5 mM | 1.4480 mL | 7.2401 mL | 14.4802 mL | |
| 10 mM | 0.7240 mL | 3.6200 mL | 7.2401 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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