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| 1g |
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| 5g |
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| 10g |
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| 25g |
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Methyl vanillate, the methyl ester of vanillic acid, is a natural product from Hovenia dulcis and Oryza sativa Linn, acting as a Wnt/β-catenin activator with an antioxidant activity.
| ln Vitro |
In calvarial osteoblasts, methyl vanillate (0-100 μM) promotes nuclear translocation and β-catenin expression. In a dose-dependent manner, methyl vanillate raises ALP activity in skull osteoblasts [1].
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| References | |
| Additional Infomation |
Methyl vanillate is a benzoate ester that is the methyl ester of vanillic acid. It has a role as an antioxidant and a plant metabolite. It is a benzoate ester, a member of phenols and an aromatic ether. It is functionally related to a vanillic acid.
Methyl vanillate has been reported in Rhinacanthus nasutus, Aristolochia kankauensis, and other organisms with data available. Methyl vanillate is a metabolite found in or produced by Saccharomyces cerevisiae. |
| Molecular Formula |
C9H10O4
|
|---|---|
| Molecular Weight |
182.18
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| Exact Mass |
182.057
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| CAS # |
3943-74-6
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| PubChem CID |
19844
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| Appearance |
Off-white to light brown solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
286.0±0.0 °C at 760 mmHg
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| Melting Point |
64-67 °C(lit.)
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| Flash Point |
120.2±15.8 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.534
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| LogP |
1.54
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
13
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| Complexity |
181
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
BVWTXUYLKBHMOX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3
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| Chemical Name |
Benzoic acid, 4-hydroxy-3-methoxy-, methyl ester
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| Synonyms |
NSC-74385NSC 74385 Methyl vanillateNSC74385
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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 : ≥ 100 mg/mL (~548.94 mM)
H2O : ~1.67 mg/mL (~9.17 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (13.72 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 (13.72 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 (13.72 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 2 mg/mL (10.98 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication (<60°C). |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.4891 mL | 27.4454 mL | 54.8908 mL | |
| 5 mM | 1.0978 mL | 5.4891 mL | 10.9782 mL | |
| 10 mM | 0.5489 mL | 2.7445 mL | 5.4891 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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