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| Other Sizes |
| Targets |
Ethyl 3,4,5-trimethoxybenzoate does not have a well-defined specific therapeutic target but is a natural product with potential biological activities. As a natural compound, it may interact with multiple cellular targets. The compound's mechanism of action is not fully characterized but may involve modulation of various cellular pathways. It is studied for its potential biological activities and used in natural product research.
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| ln Vitro |
Ethyl 3,4,5-trimethoxybenzoate is a natural compound with potential biological activities. As a natural product isolated from Rauvolfia species, it may have various biological activities including anti-inflammatory, antioxidant, or other pharmacological effects. The compound's specific biological activities and potency values are not extensively documented in the public domain. It is used in natural product research.
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| ln Vivo |
In vivo activity data for Ethyl 3,4,5-trimethoxybenzoate are not extensively documented. As a natural product, it may have potential for various biological activities, but specific in vivo efficacy studies in animal models are not specified in the public domain. The compound is intended for research use only and is not approved for human therapeutic applications. Further studies are needed to evaluate its in vivo pharmacokinetics and pharmacodynamics.
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| Enzyme Assay |
The in vitro assay for Ethyl 3,4,5-trimethoxybenzoate typically involves testing its effects on various cellular targets. Cells are treated with varying concentrations of the compound (typically 0.1-100 µM) for 24-72 hours. Cell viability is assessed using MTT or other standard assays. The compound's effects on specific signaling pathways are assessed using appropriate biochemical assays. The compound is dissolved in DMSO or ethanol and diluted in cell culture medium.
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| Cell Assay |
In vitro cellular assays for Ethyl 3,4,5-trimethoxybenzoate typically involve treating various cell lines with the compound at concentrations ranging from 0.1 to 100 µM for 24-72 hours. Cell viability is assessed using MTT, CCK-8, or CellTiter-Glo assays. The compound's effects on cell proliferation, apoptosis, and signaling pathways are evaluated using standard methods. The compound is dissolved in DMSO as a stock solution and diluted in cell culture medium.
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| Animal Protocol |
In vivo animal studies for Ethyl 3,4,5-trimethoxybenzoate are not extensively documented. For potential in vivo applications, the compound could be administered to mice via oral gavage or intraperitoneal injection at doses determined from preliminary studies. The compound's pharmacokinetics and pharmacodynamics would be evaluated in these models. Standard efficacy studies would involve appropriate disease models depending on the compound's suspected biological activity.
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| ADME/Pharmacokinetics |
Ethyl 3,4,5-trimethoxybenzoate has a molecular weight of 240.25 g/mol and formula C12H16O5. It is a powder. Purity is typically ≥98%. The compound is soluble in organic solvents such as DMSO and ethanol. Recommended storage is at room temperature. Detailed PK parameters such as half-life, Cmax, AUC, and bioavailability would require experimental determination.
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| Toxicity/Toxicokinetics |
Ethyl 3,4,5-trimethoxybenzoate is intended for research use only and is not approved for human therapeutic applications. As a natural product, it may have a favorable safety profile, but appropriate safety precautions should be taken when handling. Standard toxicity assessments would include acute toxicity, genotoxicity, and repeated-dose toxicity studies if required for specific applications.
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| References | |
| Additional Infomation |
3,4,5-Trimethoxybenzoic acid ethyl ester is a trihydroxybenzoic acid.
Ethyl 3,4,5-trimethoxybenzoate (CAS 6178-44-5) is a natural compound extracted from the roots of Rauvolfia yunnanensis Tsiang and the herbs of Rauvolfia verticillata. It has a molecular weight of 240.25 g/mol and formula C12H16O5. The compound is also known as 3,4,5-Trimethoxybenzoic Acid Ethyl Ester and 3,4,5-三甲氧基苯甲酸乙酯. It is not approved for clinical use. |
| Molecular Formula |
C12H16O5
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|---|---|
| Molecular Weight |
240.2524
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| Exact Mass |
240.099
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| CAS # |
6178-44-5
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| PubChem CID |
231162
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| Appearance |
White to off-white solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
292.0±7.0 °C at 760 mmHg
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| Melting Point |
54 °C
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| Flash Point |
123.4±18.2 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.493
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| LogP |
2.27
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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 |
6
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| Heavy Atom Count |
17
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| Complexity |
229
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
UEOFNBCUGJADBM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H16O5/c1-5-17-12(13)8-6-9(14-2)11(16-4)10(7-8)15-3/h6-7H,5H2,1-4H3
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| Chemical Name |
ethyl 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.1623 mL | 20.8117 mL | 41.6233 mL | |
| 5 mM | 0.8325 mL | 4.1623 mL | 8.3247 mL | |
| 10 mM | 0.4162 mL | 2.0812 mL | 4.1623 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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