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Antiviral API
- Arenavirus
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- Endogenous Metabolite
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- Antiviral intermediates
Theaflavin 3,3'-digallate
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| Category | Herpes simplex Virus (HSV) |
| CAS | 30462-35-2 |
| Description | Theaflavin 3,3'-digallate is a flavonoid isolated from Black tea. It is a good antitumor agent as well. |
Product Information
| Synonyms | Theaflavin 3,3'-di-O-gallate |
| Molecular Weight | 868.7 |
| Molecular Formula | C43H32O20 |
| Canonical SMILES | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC4=C(C(=C(C=C4C5C(CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)C(=O)C(=C3)O)OC(=O)C8=CC(=C(C(=C8)O)O)O |
| InChI | InChI=1S/C43H32O20/c44-17-7-23(46)21-12-33(62-42(58)15-3-25(48)36(54)26(49)4-15)40(60-31(21)9-17)14-1-19-20(11-30(53)39(57)35(19)38(56)29(52)2-14)41-34(13-22-24(47)8-18(45)10-32(22)61-41)63-43(59)16-5-27(50)37(55)28(51)6-16/h1-11,33-34,40-41,44-51,53-55,57H,12-13H2,(H,52,56)/t33-,34-,40-,41-/m1/s1 |
| InChIKey | ZEASWHWETFMWCV-ISBUVJFSSA-N |
| Boiling Point | 1324.7±65.0 °C at 760 mmHg |
| Flash Point | 402.9±27.8 °C |
| Purity | 98% |
| Density | 2.0±0.1 g/cm3 |
| Solubility | DMF: 25 mg/ml, DMF:PBS(pH 7.2)(1:6): 0.14 mg/ml, DMSO: 10 mg/ml, Ethanol: 10 mg/ml |
| Appearance | Powder |
| Storage | -20°C, sealed storage, away from moisture and light * In solvent : -80°C 6 months; -20°C 1 month (sealed storage, away from moisture and light) |
| Index Of Refraction | 1.908 |
| In Vitro | Theaflavin 3,3'-digallate (TF-3; 6.25, 12.5, 25 μM; 24 hours) markedly reduces viral RNA copy numbers and NS3, U87 MG protein expression in a dose-dependent manner. Theaflavin 3,3'-digallate inhibits dose-dependently ZIKV replication in Vero E6 cells (EC50=7.65 μM). Theaflavin 3,3'-digallate has minor cytotoxicity up to 40 μM in Vero E6 cells. Theaflavin 3,3'-digallate can inhibit the post-entry events of the ZIKV replication cycle from gene transcription and translation levels. Theaflavin 3,3'-digallate is generally regarded as the effective component for the inhibitory effects against carcinogenesis without adverse side effects by affecting multiple signal transduction pathways, such as upregulating p53 and p21, inhibiting phosphorylation of the cell survival protein Akt and MAPK pathway, downregulation of NF-κB, shifting the ratio between pro-/antiapoptotic proteins. Theaflavin 3,3'-digallate causes a rapid and sustained decrease in phospho-ERK1/2 and -MEK1/2 protein expression. Theaflavin 3,3'-digallate inhibits HCT116 cell growth with an IC50 of 17.26 μM. |
| PSA | 351.12000 |
| Target | Virus Protease; HSV; HIV |
| Vapor Pressure | 0.0±0.3 mmHg at 25°C |
