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| Targets |
6-Methylnicotinic acid is an intermediate of the drug etoricoxib, a non-steroidal anti-inflammatory drug used for the treatment of arthritis and osteoarthritis. As a pharmaceutical intermediate, it does not have a direct pharmacological target itself but serves as a building block for the synthesis of etoricoxib.
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| ln Vitro |
6-Methylnicotinic acid is a stand-in for the nonsteroidal anti-inflammatory medication etoricoxib, which is used to treat osteoarthritis and arthritis. utilized as organic intermediaries as well.
No direct in vitro pharmacological activity data are available for 6-Methylnicotinic acid as it is a pharmaceutical intermediate. In research settings, the compound is used as a building block for synthesizing pharmaceutical compounds. Its activity is assessed in terms of synthetic utility and reactivity rather than direct biological activity. |
| ln Vivo |
No specific in vivo pharmacological activity data have been documented for 6-Methylnicotinic acid as a therapeutic agent. The compound is used as a pharmaceutical intermediate and is not administered directly to animals. Its derivative etoricoxib has established in vivo anti-inflammatory activity in animal models and humans.
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| Enzyme Assay |
For non-cellular assays, 6-Methylnicotinic acid is characterized by standard analytical techniques including HPLC, NMR, and mass spectrometry to confirm identity and purity. The compound can be evaluated as a substrate in various organic reactions. Purity: 98.0+% to 99%. Molecular weight: 137.14.
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| Cell Assay |
For in vitro cell-based studies, 6-Methylnicotinic acid is not typically used as a direct test compound. The compound is used as a building block for synthesizing biologically active molecules that are subsequently tested in cell-based assays. If handled in a biological laboratory context, standard safety precautions should be taken.
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| Animal Protocol |
For in vivo animal studies, 6-Methylnicotinic acid can be formulated using standard injection vehicles. The compound is a solid at room temperature. Dosing solutions should be freshly prepared and administered according to specific protocols with appropriate control groups.
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| ADME/Pharmacokinetics |
6-Methylnicotinic acid has a molecular weight of 137.14 and molecular formula C7H7NO2. Purity: 98.0+% to 99%. Storage: keep in a cool, dry place protected from light and moisture. The compound is a solid at room temperature.
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| Toxicity/Toxicokinetics |
6-Methylnicotinic acid is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. Appropriate personal protective equipment including gloves and safety glasses should be worn. Specific LD50 values and detailed toxicological profiles have not been extensively reported.
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| Additional Infomation |
6-Methylnicotinic acid (CAS 3222-47-7) is also known as 6-methylpyridine-3-carboxylic acid. It is an intermediate of the drug etoricoxib, a non-steroidal anti-inflammatory drug for the treatment of arthritis and osteoarthritis. Applications include organic synthesis and pharmaceutical intermediate production. No clinical trials or therapeutic approvals exist for the compound itself.
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| Molecular Formula |
C7H7NO2
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| Molecular Weight |
137.14
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| Exact Mass |
137.047
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| CAS # |
3222-47-7
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| PubChem CID |
137860
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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 |
296.2±20.0 °C at 760 mmHg
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| Melting Point |
210-213 °C(lit.)
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| Flash Point |
132.9±21.8 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.561
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| LogP |
0.61
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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 |
1
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| Heavy Atom Count |
10
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| Complexity |
136
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(O)C1=CN=C(C)C=C1
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| InChi Key |
RZOKQIPOABEQAM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H7NO2/c1-5-2-3-6(4-8-5)7(9)10/h2-4H,1H3,(H,9,10)
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| Chemical Name |
6-methylpyridine-3-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 |
| 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 | 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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