| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| ADME/Pharmacokinetics |
Metabolism / Metabolites
…m-XYL (m-XYL) has been shown to alter cytochrome P-450 (CYP) activity in an organ- and isoenzyme-specific manner. This study aimed to determine whether the metabolism of m-XYL to the inhibitory metabolite m-tolualdehyde (m-ALD) is the cause of CYP isoenzyme inhibition following in vivo exposure to inhaled m-XYL (100, 300 ppm), 3-methylbenzyl alcohol (3-MBA) (50, 100 ppm), or m-ALD (50, 100 ppm). In rats, a single inhalation of m-XYL for 6 hours resulted in dose-dependent inhibition of pulmonary CYP 2B1, 2E1, and 4B1 activities. Inhalation of 3-MBA dose-dependently inhibited pulmonary CYP2B1 and CYP4B1 activities. m-ALD dose-dependently inhibited the activity of CYP2B1 and CYP2E1 in the lungs, while dose-dependently increasing the activity of CYP4B1. Exposure to m-XYL dose-dependently inhibited the activity of CYP2B1 and CYP2E1 in the nasal mucosa; 3-MBA dose-dependently inhibited the activity of CYP2E1 and CYP4B1 in the nasal mucosa. Inhalation of m-ALD dose-dependently inhibited the activities of CYP2B1, CYP2E1, and CYP4B1. High-performance liquid chromatography (HPLC) analysis showed that m-ALD was detectable dose-dependently after in vivo exposure to m-XYL, m-ALD, and 3-MBA, with the highest concentrations found in the nasal mucosa and lungs. The alteration of cytochrome P-450 activity by m-XYL may lead to increased or decreased toxicity, thereby altering the metabolic profile of exogenous substances under co-exposure in an organ-specific manner. Tolueneformin can be oxidized to p-tolueneic acid by resting cells of Pseudomonas aeruginosa. Perillaldehyde dehydrogenase isolated from Pseudomonas aeruginosa can catalyze the oxidation of m-tolueneformin and p-tolueneformin, but not o-tolueneformin. Aldehydes are readily oxidized to organic acids. The oxidation of aldehydes is catalyzed by aldehyde dehydrogenases, which are found in the brain, red blood cells, liver, kidneys, heart, and placenta. /Aldehydes/ |
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| References |
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| Additional Infomation |
m-Tolueneform is a tolueneform compound with a methyl substituent at the 3-position. It is a plant metabolite. 3-Methylbenzaldehyde has been reported to be found in African aloe vera, chicory, and other organisms with relevant data.
|
| Molecular Formula |
C₈H₈O
|
|---|---|
| Molecular Weight |
120.15
|
| Exact Mass |
120.057
|
| CAS # |
620-23-5
|
| PubChem CID |
12105
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
1.0±0.1 g/cm3
|
| Boiling Point |
199.0±0.0 °C at 760 mmHg
|
| Melting Point |
< 25 °C
|
| Flash Point |
78.3±0.0 °C
|
| Vapour Pressure |
0.3±0.3 mmHg at 25°C
|
| Index of Refraction |
1.558
|
| LogP |
2.1
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| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
9
|
| Complexity |
98.7
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C([H])C1=C([H])C([H])=C([H])C(C([H])([H])[H])=C1[H]
|
| InChi Key |
OVWYEQOVUDKZNU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3
|
| Chemical Name |
3-methylbenzaldehyde
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| Synonyms |
mTolualdehyde; m Tolualdehyde
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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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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) |
DMSO : ~100 mg/mL (~832.29 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (20.81 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 (20.81 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 (20.81 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 | 8.3229 mL | 41.6146 mL | 83.2293 mL | |
| 5 mM | 1.6646 mL | 8.3229 mL | 16.6459 mL | |
| 10 mM | 0.8323 mL | 4.1615 mL | 8.3229 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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