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).
Physicochemical Properties
| Molecular Formula | C38H34O19 |
| Molecular Weight | 794.665173053741 |
| Exact Mass | 794.169 |
| CAS # | 148707-39-5 |
| PubChem CID | 11787645 |
| Appearance | White to off-white solid powder |
| Density | 1.46±0.1 g/cm3(Predicted) |
| Boiling Point | 879.7±65.0 °C(Predicted) |
| Melting Point | 114.3-115.1 °C |
| LogP | 3.99 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 19 |
| Rotatable Bond Count | 20 |
| Heavy Atom Count | 57 |
| Complexity | 1510 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
| InChi Key | SVHJCTSSYQPWEV-VSJLXWSYSA-N |
| 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) |
Biological Activity
| References |
[1]. Prodrug of green tea epigallocatechin-3-gallate (Pro-EGCG)\nas a potent anti-angiogenesis agent for endometriosis in mice.\nAngiogenesis. 2013 Jan;16(1):59-69. [2]. Enhanced bioaccessibility of green tea polyphenols and\nlipophilic activity of EGCG octaacetate on gram-negative bacteria.\nVolume 105, May 2019, Pages 103-109. |
| Additional Infomation |
EGCG Octaacetate is a catechin. EGCG Octaacetate has been reported in Stryphnodendron adstringens with data available. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~125.84 mM) |
| 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 |