| Size | Price | Stock | Qty |
|---|---|---|---|
| 50g |
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| Other Sizes |
| Targets |
o-Toluic acid exhibits a range of bioactivities, including the ability to counter ROR gamma transcriptional activity, modulate lipid storage in Drosophila S3 cells, and inhibit the internalization of Anthrax Lethal Toxin. It is part of a group of benzoic acid derivatives that possess inhibitory activity against mushroom tyrosinases.
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|---|---|
| ln Vitro |
In vitro, o-Toluic acid has been shown to inhibit mushroom tyrosinase activity. It is used as a reagent to synthesize halogen-substituted benzoic acids. Its ability to modulate lipid storage and counter ROR gamma transcriptional activity has been demonstrated in cell-based assays.
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| ln Vivo |
In vivo activity has been studied in mice, where intraperitoneal administration causes rigidity or spasticity with an LD50 of 422 mg/kg. The compound is a xenobiotic metabolite and has been used as a competitive agent in drug solubility studies involving quinine.
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| Enzyme Assay |
Enzyme inhibition assays for o-Toluic acid involve testing its ability to inhibit mushroom tyrosinase activity. Binding and functional assays would be used to evaluate its effects on ROR gamma transcriptional activity and Anthrax Lethal Toxin internalization.
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| Cell Assay |
Cell-based assays are conducted using Drosophila S3 cells to assess lipid storage modulation. The compound's ability to counter ROR gamma transcriptional activity is evaluated in reporter assays. Inhibition of Anthrax Lethal Toxin internalization is assessed in appropriate cell lines.
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| Animal Protocol |
In vivo studies are performed in mice to assess toxicity and pharmacological effects. The compound has been used in intraperitoneal lethal-dose studies with an LD50 of 422 mg/kg. It has also been used in drug solubility studies involving quinine.
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| ADME/Pharmacokinetics |
o-Toluic acid has a molecular weight of 136.15. Storage: store under recommended conditions. The compound is a solid at room temperature and is soluble in organic solvents.
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| Toxicity/Toxicokinetics |
o-Toluic acid is a skin and eye irritant. In mice, the intraperitoneal LD50 is 422 mg/kg. It is harmful if swallowed, inhaled, or absorbed through the skin. Standard laboratory safety precautions should be followed.
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| Additional Infomation |
o-Toluic acid is a pale yellow crystal or a grayish-white flaky solid. (NTP, 1992)
O-Toluic acid is a methylbenzoic acid, i.e., benzoic acid with a methyl group substituted at the 2-position. It is an exogenous metabolite and the conjugate acid of o-toluate. O-Toluic acid has been reported to be detected in Arabidopsis thaliana, humans, and tobacco. o-Toluic acid is a human xenobiotic metabolite with a range of bioactivities. It is used as a reagent in organic synthesis and in pharmacological research. Synonyms include 2-Methylbenzoic acid and 邻甲基苯甲酸. |
| Molecular Formula |
C8H8O2
|
|---|---|
| Molecular Weight |
136.1479
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| Exact Mass |
136.052
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| CAS # |
118-90-1
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| Related CAS # |
O-Toluic acid-d7;207742-73-2;o-Toluic acid-13C;70838-82-3
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| PubChem CID |
8373
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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 |
260.9±9.0 °C at 760 mmHg
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| Melting Point |
103 °C
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| Flash Point |
118.8±13.4 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.556
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| LogP |
2.36
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| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
10
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| Complexity |
131
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| Defined Atom Stereocenter Count |
0
|
| InChi Key |
ZWLPBLYKEWSWPD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)
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| Chemical Name |
2-methylbenzoic 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 : ~100 mg/mL (~734.48 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (18.36 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 (18.36 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 (18.36 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 | 7.3448 mL | 36.7242 mL | 73.4484 mL | |
| 5 mM | 1.4690 mL | 7.3448 mL | 14.6897 mL | |
| 10 mM | 0.7345 mL | 3.6724 mL | 7.3448 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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