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| Other Sizes |
| Targets |
3,4,5-Trimethoxybenzaldehyde does not have a specific biological target itself but serves as a chemical intermediate for drug synthesis. It is used in the synthesis of trimethoprim, an antibiotic that inhibits bacterial dihydrofolate reductase. The compound has antifungal efficacy and inhibits adhesion and biofilm formation. Its biological activity, if any, would depend on the final compounds synthesized from this intermediate.
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| ln Vitro |
3,4,5-Trimethoxybenzaldehyde demonstrates in vitro antifungal efficacy and inhibits adhesion and biofilm formation. The compound's activity is typically assessed in antifungal assays against Candida species and in biofilm inhibition assays. As a chemical intermediate, its primary use is in the synthesis of various drugs, particularly trimethoprim. The compound's purity is 98% (min GC).
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| ln Vivo |
In vivo studies for 3,4,5-Trimethoxybenzaldehyde are not extensively documented as the compound is primarily used as a chemical intermediate rather than a therapeutic agent. As an intermediate in trimethoprim synthesis, its in vivo effects are studied in the context of the final drug product. The compound has antifungal efficacy and inhibits adhesion and biofilm formation. Comprehensive in vivo studies of the compound itself are limited.
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| Enzyme Assay |
For chemical synthesis applications, 3,4,5-Trimethoxybenzaldehyde is used as a starting material for various organic reactions. The compound can be used in the synthesis of trimethoprim and other drugs. The progress of reactions is monitored by TLC, GC, or HPLC. The compound's purity and identity are confirmed by NMR, IR, and mass spectrometry. Purity is 98% (min GC).
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| Cell Assay |
For antifungal activity evaluation, Candida species or other fungal cultures are grown in appropriate media and treated with 3,4,5-Trimethoxybenzaldehyde at various concentrations. Antifungal activity is assessed by measuring growth inhibition using optical density or colony counting. Biofilm inhibition is assessed using crystal violet staining. Cytotoxicity in mammalian cells can be assessed using standard cell viability assays.
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| Animal Protocol |
For in vivo studies, 3,4,5-Trimethoxybenzaldehyde is not typically used as a therapeutic agent. As a chemical intermediate, its in vivo effects are studied in the context of the final drug products synthesized from it. Studies in appropriate animal models would be conducted with the final drug compounds rather than the intermediate itself.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 3,4,5-Trimethoxybenzaldehyde have not been fully characterized in the available literature. The compound has a molecular formula of C10H12O4 and a molecular weight of 196.20. Appearance is white to light yellow crystals. Melting point is 72-74°C. Boiling point is 163-165°C at 10 mm Hg. It is slightly soluble in water. Storage at room temperature under inert gas is recommended.
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| Toxicity/Toxicokinetics |
3,4,5-Trimethoxybenzaldehyde is a chemical reagent intended for research and synthetic use only and is not approved for human therapeutic use. As an intermediate in the synthesis of various drugs, particularly trimethoprim, it has antifungal efficacy and inhibits adhesion and biofilm formation. Standard laboratory safety precautions should be followed when handling this compound. Purity 98% (min GC) and storage at room temperature under inert gas is recommended.
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| References | |
| Additional Infomation |
3,4,5-Trimethoxybenzaldehyde has been reported in Zanthoxylum ailanthoides, Acorus calamus, and other organisms with available data.
3,4,5-Trimethoxybenzaldehyde is a chemical intermediate with molecular formula C10H12O4 and molecular weight 196.20. It is used in the synthesis of various drugs, particularly trimethoprim for treating bacterial infections. The compound has antifungal efficacy and inhibits adhesion and biofilm formation. It is for research and synthetic use only and has not been approved for clinical applications. Purity 98% (min GC) and storage at room temperature under inert gas is recommended. |
| Molecular Formula |
C10H12O4
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|---|---|
| Molecular Weight |
196.20
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| Exact Mass |
196.073
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| CAS # |
86-81-7
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| Related CAS # |
3,4,5-Trimethoxybenzaldehyde-d3;1219805-17-0
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| PubChem CID |
6858
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| Appearance |
Off-white to light brown solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
311.4±37.0 °C at 760 mmHg
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| Melting Point |
72-74 °C(lit.)
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| Flash Point |
136.8±26.5 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.525
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| LogP |
1.4
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
14
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| Complexity |
169
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=CC1C=C(OC)C(OC)=C(OC)C=1
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| InChi Key |
OPHQOIGEOHXOGX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H3
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| Chemical Name |
3,4,5-trimethoxybenzaldehyde
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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)
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| Solubility (In Vitro) |
DMSO : 50 mg/mL (254.84 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.74 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 (12.74 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 (12.74 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 | 5.0968 mL | 25.4842 mL | 50.9684 mL | |
| 5 mM | 1.0194 mL | 5.0968 mL | 10.1937 mL | |
| 10 mM | 0.5097 mL | 2.5484 mL | 5.0968 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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