| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
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| Other Sizes |
Purity: ≥98%
| Targets |
Methyl 3,4,5-trimethoxybenzoate does not have a single defined pharmacological target. It is a chemical intermediate used in the synthesis of pharmaceuticals. It has been reported to have antioxidant activity and is found in Eucalyptus sylvestris. Its primary utility is as a synthetic building block.
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|---|---|
| ln Vitro |
In vitro, methyl 3,4,5-trimethoxybenzoate has demonstrated notable biological activity. It has antioxidant activity. It is also used as a useful model system for studying hydrogen bonding in organic chemistry. Its main role is as a chemical intermediate rather than a pharmacological agent.
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| ln Vivo |
In vivo, methyl 3,4,5-trimethoxybenzoate is not used as a therapeutic agent itself. Its in vivo activity is realized through the drugs synthesized from it, such as trimethoprim (TMP). Trimethoprim is an antibiotic that inhibits bacterial dihydrofolate reductase. The compound is used as a research reagent and chemical intermediate.
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| Enzyme Assay |
In vitro assays for methyl 3,4,5-trimethoxybenzoate typically involve assessing its utility as a chemical intermediate in synthesis reactions. The compound's purity, stability, and reactivity are characterized by HPLC, NMR, and mass spectrometry. Its antioxidant activity can be assessed using DPPH or ABTS radical scavenging assays.
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| Cell Assay |
For in vitro cell-based assays, methyl 3,4,5-trimethoxybenzoate is not typically used directly. Instead, the drugs synthesized from it (e.g., trimethoprim) are evaluated for their biological activity. Trimethoprim's antibacterial effects are assessed in bacterial cultures. Cell viability is assessed by standard assays.
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| Animal Protocol |
In vivo animal studies with methyl 3,4,5-trimethoxybenzoate are not typically performed, as it is a chemical intermediate. The drugs synthesized from it (e.g., trimethoprim) are evaluated in animal models of infection. Trimethoprim's effects on bacterial clearance and survival are assessed.
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| ADME/Pharmacokinetics |
Methyl 3,4,5-trimethoxybenzoate (CAS: 1916-07-0) has a molecular weight of 226.23 g/mol and a molecular formula of C11H14O5. Appearance: white to off-white crystalline powder. Purity: ≥98%. Storage: room temperature. The compound is a chemical intermediate used in the synthesis of pharmaceuticals.
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| Toxicity/Toxicokinetics |
Methyl 3,4,5-trimethoxybenzoate is a research compound and is not approved for human therapeutic use. As a chemical intermediate, it is used in very small quantities in the synthesis of pharmaceuticals. Standard laboratory safety precautions should be followed when handling the compound.
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| References | |
| Additional Infomation |
Methyl eucalyptate is a trihydroxybenzoic acid. It has been reported that methyl 3,4,5-trimethoxybenzoate is found in Eucalyptus sylvestris, pomegranate, and other organisms with relevant data.
Methyl 3,4,5-trimethoxybenzoate is a trimethoxylated benzoic acid methyl ester derivative synthesized from gallic acid. It is mainly used to produce trimethoprim (TMP), sulfonamide synergist intermediates, and other active molecules. It is not FDA-approved as a drug and is intended for research and synthetic use only. |
| Molecular Formula |
C11H14O5
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|---|---|
| Molecular Weight |
226.2259
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| Exact Mass |
226.084
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| CAS # |
1916-07-0
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| Related CAS # |
Methyl 3,4,5-trimethoxybenzoate-d9;1182838-07-8
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| PubChem CID |
15956
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| Appearance |
Off-white to gray solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
274.5±0.0 °C at 760 mmHg
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| Melting Point |
82-84 °C(lit.)
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| Flash Point |
115.2±18.2 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.494
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| LogP |
1.74
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
5
|
| Heavy Atom Count |
16
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| Complexity |
216
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
KACHFMOHOPLTNX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H3
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| Chemical Name |
methyl 3,4,5-trimethoxybenzoate
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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 (~442.03 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (11.05 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 (11.05 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 (11.05 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 | 4.4203 mL | 22.1014 mL | 44.2028 mL | |
| 5 mM | 0.8841 mL | 4.4203 mL | 8.8406 mL | |
| 10 mM | 0.4420 mL | 2.2101 mL | 4.4203 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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