| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg | |||
| 100mg | |||
| 250mg | |||
| Other Sizes |
| Targets |
HIV-1 integrase (inhibits); UDP-glucuronosyltransferase 1 family, polypeptide A1 (UGT1A1) (potent inhibitor, Ki = 1.68 μM); complement pathway (anti-complement activity, IC50 = 34 µM).
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|---|---|
| ln Vitro |
In vitro, 1,2,3,6-Tetragalloylglucose inhibits HIV-1 integrase, a key enzyme in HIV replication. It is a potent inhibitor of UGT1A1 with a Ki of 1.68 μM (some sources report Ki of 3.55 μM). It exhibits antioxidative activity and shows potent anti-complement activity with an IC50 of 34 µM. It induces tumor cell apoptosis, inhibits cell proliferation, activates caspase-3, and induces DNA fragmentation in HL-60 cells.
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| ln Vivo |
No detailed in vivo activity data is publicly available for 1,2,3,6-Tetragalloylglucose. As a polyphenolic compound with HIV-1 integrase inhibitory activity, it may have potential for in vivo antiviral studies, but specific animal model data has not been reported in available literature.
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| Enzyme Assay |
No specific cell-free assay protocol is detailed for 1,2,3,6-Tetragalloylglucose. For polyphenolic compounds, typical cell-free assays include HIV-1 integrase inhibition assays using recombinant integrase and oligonucleotide substrates, UGT1A1 enzyme activity assays using bilirubin or other substrates, and antioxidant assays (DPPH, ABTS). Ki values are calculated from enzyme kinetics.
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| Cell Assay |
Cellular activity is assessed in HIV-infected cell lines for antiviral activity, or in cancer cell lines (e.g., HL-60 cells) for antiproliferative and pro-apoptotic effects. Cells are treated with serial dilutions of 1,2,3,6-Tetragalloylglucose. Endpoints include HIV replication inhibition (p24 antigen ELISA), cell viability (MTT), apoptosis detection (flow cytometry, caspase-3 activity), and DNA fragmentation assays.
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| Animal Protocol |
No in vivo animal experimental protocol is publicly available for 1,2,3,6-Tetragalloylglucose. For similar polyphenolic compounds, typical in vivo studies involve oral or intravenous administration in animal models of HIV infection or cancer.
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| ADME/Pharmacokinetics |
Molecular weight: 788.57 g/mol; molecular formula: C34H28O22. CAS No.: 79886-50-3. Appearance: powder. Solubility: soluble in DMSO, methanol; sparingly soluble in water. Storage: typical for polyphenolic compounds (desiccated, protected from light, -20°C).
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| Toxicity/Toxicokinetics |
No detailed toxicity data is publicly available. As a natural polyphenolic compound, it is generally considered to have low toxicity, but standard toxicological studies would be required for drug development.
|
| References | |
| Additional Infomation |
1,2,3,6-Tetra(O-galloyl)-β-D-glucose is a galloyl-β-D-glucose compound containing four galloyl groups at positions 1, 2, 3, and 6. It is a gallic ester and also a galloyl-β-D-glucose. It has been reported in Castanopsis fissa, Euphorbia jolkinii, and other organisms with relevant data. See also: Root (part) of Paeonia lactiflora.
1,2,3,6-Tetragalloylglucose is a research-grade compound, not approved for therapeutic use. It is primarily used as a precursor of anti-HIV agents and as a pharmacological tool for studying UGT1A1 inhibition and polyphenol bioactivity. No clinical trials have been reported. Its mechanisms involve HIV-1 integrase inhibition and UGT1A1 inhibition. |
| Molecular Formula |
C34H28O22
|
|---|---|
| Molecular Weight |
788.57292
|
| Exact Mass |
788.107
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| CAS # |
79886-50-3
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| PubChem CID |
73178
|
| Appearance |
White to off-white solid powder
|
| LogP |
0.704
|
| Hydrogen Bond Donor Count |
13
|
| Hydrogen Bond Acceptor Count |
22
|
| Rotatable Bond Count |
13
|
| Heavy Atom Count |
56
|
| Complexity |
1340
|
| Defined Atom Stereocenter Count |
5
|
| SMILES |
C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O
|
| InChi Key |
RATQVALKDAUZBW-XPMKZLBQSA-N
|
| InChi Code |
InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-27(47)28(54-31(49)11-3-16(37)24(44)17(38)4-11)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27-,28+,29-,34+/m1/s1
|
| Chemical Name |
[(2R,3R,4S,5R,6S)-3-hydroxy-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
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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: 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)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~126.81 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.17 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 (3.17 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 (3.17 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 | 1.2681 mL | 6.3406 mL | 12.6812 mL | |
| 5 mM | 0.2536 mL | 1.2681 mL | 2.5362 mL | |
| 10 mM | 0.1268 mL | 0.6341 mL | 1.2681 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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