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EGCG Octaacetate is a novel and potent prodrug form of Green tea epigallocatechin-3-gallate (EGCG). It was designed aiming to enhance the stability and bioavailability of EGCG in vivo. Thus, it has high efficacy, bioavailability, anti-oxidation and anti-angiogenesis capacities. EGCG octaacetate is the potential antibacterial compound for gram-positive bacteria (GPB) and gram-negative bacteria (GNB).
| References |
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| Additional Infomation |
EGCG Octaacetate is a catechin.
EGCG Octaacetate has been reported in Stryphnodendron adstringens with data available. |
| Molecular Formula |
C38H34O19
|
|---|---|
| Molecular Weight |
794.665173053741
|
| Exact Mass |
794.169
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| CAS # |
148707-39-5
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| PubChem CID |
11787645
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| Appearance |
White to off-white solid powder
|
| Density |
1.46±0.1 g/cm3(Predicted)
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| Boiling Point |
879.7±65.0 °C(Predicted)
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| Melting Point |
114.3-115.1 °C
|
| LogP |
3.99
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
19
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| Rotatable Bond Count |
20
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| Heavy Atom Count |
57
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| Complexity |
1510
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| Defined Atom Stereocenter Count |
2
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| SMILES |
CC(=O)OC1=CC2=C(C[C@H]([C@H](O2)C3=CC(=C(C(=C3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C4=CC(=C(C(=C4)OC(=O)C)OC(=O)C)OC(=O)C)C(=C1)OC(=O)C
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| InChi Key |
SVHJCTSSYQPWEV-VSJLXWSYSA-N
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| InChi Code |
InChI=1S/C38H34O19/c1-16(39)48-26-13-28(49-17(2)40)27-15-34(57-38(47)25-11-32(52-20(5)43)37(55-23(8)46)33(12-25)53-21(6)44)35(56-29(27)14-26)24-9-30(50-18(3)41)36(54-22(7)45)31(10-24)51-19(4)42/h9-14,34-35H,15H2,1-8H3/t34-,35-/m1/s1
|
| Chemical Name |
[(2R,3R)-5,7-diacetyloxy-2-(3,4,5-triacetyloxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-triacetyloxybenzoate
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 (~125.84 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.15 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.2584 mL | 6.2919 mL | 12.5838 mL | |
| 5 mM | 0.2517 mL | 1.2584 mL | 2.5168 mL | |
| 10 mM | 0.1258 mL | 0.6292 mL | 1.2584 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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