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| Other Sizes |
| ADME/Pharmacokinetics |
Absorption, Distribution and Excretion
The presence of methyl groups promotes the good lipophilicity of methyl nicotinic acid, enabling it to penetrate the skin and be rapidly absorbed after topical administration. In vitro studies show that approximately 80-90% of the polar compound methyl nicotinic acid can rapidly penetrate the skin. In ex vivo skin experiments on hairless mice, methyl nicotinic acid effectively bypasses the stratum corneum. In humans, nicotinic acid and nicotinamide are rapidly absorbed from the gastrointestinal tract at low concentrations via a sodium-mediated mechanism. In human volunteers, approximately 15% of the dose was excreted in the urine within 108 hours after transdermal administration of a small dose of radiolabeled methyl nicotinic acid. Nicotinic acid is primarily excreted via the kidneys. Animal studies indicate that nicotinic acid is mainly concentrated in the liver, kidneys, and adipose tissue. Pharmacokinetic data are currently unavailable. Metabolism/Metabolites Methyl nicotinic acid undergoes ester hydrolysis to produce nicotinic acid and methanol. This hydrolysis is believed to be mediated by a nonspecific α-naphthaleneacetylesterase in the dermis. Biological half-life In vitro experiments show that the half-life of methyl nicotinic acid in the dermis is 3 to 10 minutes. |
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| Toxicity/Toxicokinetics |
Protein Binding
No pharmacokinetic data available. |
| References |
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| Additional Infomation |
Methyl nicotinate belongs to the pyridine class of compounds and is an aromatic carboxylic acid. Methyl nicotinate is the methyl ester of compound [DB00627], which is used as the active ingredient in over-the-counter topical preparations for its erythematous effect, used to treat muscle and joint pain. The mechanism of action of methyl nicotinate as an erythematous agent is believed to be related to peripheral vasodilation. In veterinary medicine, methyl nicotinate is used to treat respiratory diseases, vascular diseases, rheumatoid arthritis, and muscle and joint pain. Methyl nicotinate has been reported to be detected in Daphne odora, Areca catechu, and several other organisms with relevant data. See also: Capsaicin; Methyl nicotinate (ingredient)... See more...
Drug Indications For temporary relief of muscle, tendon, and joint pain. Mechanism of Action While the mechanisms of action of methyl nicotinic acid and other topical nicotinic acid esters are not fully understood, it is generally believed that methyl nicotinic acid promotes the release of prostaglandin D2. Due to its short half-life, the effect of prostaglandin D2 is limited to the local area. Human studies have shown that prostaglandin biosynthesis inhibitors can suppress the response of local skin blood vessels to methyl nicotinic acid, suggesting that the effect of methyl nicotinic acid on vascular smooth muscle may be mediated by the release of local prostaglandins. Prostaglandins released from the skin and blood vessels can induce vasodilation in the skin. Pharmacodynamics After topical application, methyl nicotinic acid acts as a peripheral vasodilator, enhancing local blood flow at the application site. It can induce vasodilation in peripheral capillaries located in the upper dermal papillae near the epidermal-dermal junction. During dermal tissue penetration, methyl nicotinic acid is hydrolyzed to nicotinic acid. In human volunteers, topical application of methyl nicotinic acid can cause vasodilatory generalized erythema. |
| Molecular Formula |
C7H7NO2
|
|---|---|
| Molecular Weight |
137.1360
|
| Exact Mass |
137.047
|
| CAS # |
93-60-7
|
| Related CAS # |
Methyl nicotinate-d4;345909-99-1
|
| PubChem CID |
7151
|
| Appearance |
White to off-white solid powder
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
209.0±0.0 °C at 760 mmHg
|
| Melting Point |
42-44 °C(lit.)
|
| Flash Point |
95.6±0.0 °C
|
| Vapour Pressure |
0.2±0.4 mmHg at 25°C
|
| Index of Refraction |
1.511
|
| LogP |
0.88
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
10
|
| Complexity |
125
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
YNBADRVTZLEFNH-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3
|
| Chemical Name |
methyl pyridine-3-carboxylate
|
| 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) |
H2O : ~100 mg/mL (~729.18 mM)
DMSO : ~100 mg/mL (~729.18 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (18.23 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 (18.23 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 (18.23 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: 50 mg/mL (364.59 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| 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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