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| Other Sizes |
| Targets |
Methyl 2-aminonicotinate does not have a defined primary pharmacological target as a standalone compound, as it is primarily a synthetic intermediate. In medicinal chemistry, the compound serves as a building block for synthesizing biologically active molecules that may target various receptors and enzymes. The aminonicotinate scaffold is a common motif in drug discovery, with derivatives known to interact with kinases, G-protein coupled receptors, and other protein targets. The amino group provides a handle for hydrogen bonding, while the ester functionality allows for further derivatization. The compound's role in synthesizing vasodilators suggests that its derivatives may target vascular smooth muscle or endothelial signaling pathways.
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| ln Vitro |
In vitro activity of Methyl 2-aminonicotinate itself is not typically evaluated, as it is a synthetic intermediate rather than a therapeutic agent. The compound's biological activity would be assessed through the final drug molecules synthesized from this building block. In biochemical research, the compound may be used as a reference standard or as a starting material for generating compound libraries. Its utility in synthesizing skin vasodilators and peripheral vasodilators indicates that derivatives of this compound possess vasodilatory activity, likely through mechanisms involving nitric oxide signaling, calcium channel modulation, or receptor-mediated pathways.
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| ln Vivo |
In vivo activity data for Methyl 2-aminonicotinate itself are not available, as the compound is not intended for direct administration as a therapeutic agent. It is classified as a biochemical reagent and organic synthesis intermediate. Any in vivo effects would be associated with the final drug products synthesized from this intermediate rather than the compound itself. Derivatives of aminonicotinate compounds have been investigated for vasodilatory effects in animal models, typically involving measurement of blood pressure changes, vascular resistance, or blood flow in various vascular beds. The compound's role in drug discovery is to enable the synthesis of such pharmacologically active derivatives.
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| Enzyme Assay |
In vitro enzyme or receptor binding assays for Methyl 2-aminonicotinate are not standard, as the compound is a chemical reagent rather than a drug candidate. If evaluated, typical binding assays might involve radioligand displacement techniques using membrane preparations from cells expressing specific receptors. For enzyme inhibition studies, purified enzyme is incubated with varying concentrations of the compound in appropriate buffer systems. However, such studies are more commonly performed on the final pharmaceutical compounds derived from this building block. The compound may serve as a reference or control in certain biochemical experiments or as a starting material for synthesizing radiolabeled probes.
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| Cell Assay |
Cell-based in vitro experiments using Methyl 2-aminonicotinate are not typically performed, as the compound is a research chemical and synthetic intermediate. When used in cell biology research, the compound might be incorporated into larger molecules that are then tested on cultured cell lines. Standard cell culture protocols would involve seeding cells (e.g., vascular smooth muscle cells, endothelial cells) in appropriate media at 37°C in a 5% CO₂ atmosphere, treating with test compounds at various concentrations, and assessing cellular responses such as proliferation, migration, or signaling pathway activation using assays like Western blotting, ELISA, or fluorescence microscopy. The compound's solvent compatibility and potential cytotoxicity should be considered.
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| Animal Protocol |
In vivo animal studies are not conducted with Methyl 2-aminonicotinate itself, as it is a chemical reagent rather than a therapeutic agent. The compound is utilized in the synthesis of drug candidates that may subsequently be evaluated in animal models. For vasodilator candidates synthesized from this intermediate, typical in vivo protocols would involve administration via oral gavage or intravenous injection to rodents, with measurement of blood pressure using telemetry or tail-cuff methods. Pharmacodynamic endpoints, pharmacokinetic sampling, and toxicological assessments would be performed according to specific research objectives. All animal studies must be conducted in accordance with institutional guidelines.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Methyl 2-aminonicotinate have not been characterized, as the compound is a chemical reagent for research use. As a small molecule with molecular weight 152.15 g/mol and a melting point of 83–86°C, it would be expected to have moderate aqueous solubility and oral bioavailability if administered. The compound's LogP is estimated to be around 0.5–1.0, indicating moderate hydrophilicity. The ester group would be susceptible to hydrolysis by esterases, potentially yielding the corresponding carboxylic acid metabolite. However, these properties are not studied for the compound itself, as it is not developed as a pharmaceutical. For drug discovery applications, the pharmacokinetic profile would be optimized at the final drug candidate stage.
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| Toxicity/Toxicokinetics |
Toxicological data for Methyl 2-aminonicotinate are limited, as the compound is handled as a research chemical in laboratory environments. Standard safety precautions should be followed, including the use of appropriate personal protective equipment. The compound may cause irritation to skin, eyes, and respiratory tract upon exposure. Inhalation of dust should be avoided, and adequate ventilation should be ensured when handling the compound. In case of contact, affected areas should be rinsed with plenty of water. The compound should be stored in a cool, dry place away from strong oxidizing agents. Comprehensive toxicological studies have not been reported for this compound.
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| Additional Infomation |
Methyl 2-aminonicotinate is a chemical research tool and synthetic intermediate rather than an approved pharmaceutical drug. Its primary application is as a building block in pharmaceutical synthesis, notably for the preparation of skin vasodilators and peripheral vasodilators. The aminonicotinate scaffold is valuable in medicinal chemistry for constructing biologically active molecules. The compound's utility stems from the reactivity of both the amino group (enabling acylation, alkylation, and other transformations) and the ester group (allowing hydrolysis, reduction, or amidation). No clinical trials or regulatory approvals have been documented for this compound itself as a therapeutic agent. The compound is commercially available as a research-grade chemical with purity typically >97.0%, supplied for laboratory synthesis and biochemical research.
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| Molecular Formula |
C7H8N2O2
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|---|---|
| Molecular Weight |
152.15
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| Exact Mass |
152.058
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| CAS # |
14667-47-1
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| PubChem CID |
351633
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| Appearance |
White to yellow solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
251.3±20.0 °C at 760 mmHg
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| Melting Point |
84-86 °C
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| Flash Point |
105.8±21.8 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.571
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| LogP |
1.9
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
11
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| Complexity |
149
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| Defined Atom Stereocenter Count |
0
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| SMILES |
NC1N=CC=CC=1C(OC)=O
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| InChi Key |
NZZDEODTCXHCRS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H8N2O2/c1-11-7(10)5-3-2-4-9-6(5)8/h2-4H,1H3,(H2,8,9)
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| Chemical Name |
methyl 2-aminopyridine-3-carboxylate
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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) |
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
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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 | 6.5725 mL | 32.8623 mL | 65.7246 mL | |
| 5 mM | 1.3145 mL | 6.5725 mL | 13.1449 mL | |
| 10 mM | 0.6572 mL | 3.2862 mL | 6.5725 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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