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Theaflavin 3,3'-digallate

Cat No.:V30984 Purity: ≥98%
Theaflavin 3,3'-digallate (TF-3) is a potent Zika virus (ZIKV) protease inhibitor (antagonist) with IC50 of 2.3 μM.
Theaflavin 3,3'-digallate
Theaflavin 3,3'-digallate Chemical Structure CAS No.: 30462-35-2
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
1mg
5mg
10mg
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Product Description
Theaflavin 3,3'-digallate (TF-3) is a potent Zika virus (ZIKV) protease inhibitor (antagonist) with IC50 of 2.3 μM. Theaflavin 3,3'-digallate binds directly to ZIKVpro (Kd=8.86 µM) and inhibits ZIKV replication. Theaflavin 3,3'-digallate inhibits the activity of gp41 and NS2B-3 proteases and has anti-HSV and HIV-1 viral activity. Theaflavin 3,3'-digallate, a typical pigment in black tea, is a potent antitumor agent.
Biological Activity I Assay Protocols (From Reference)
ln Vitro
Theaflavin 3,3'-digallate (TF-3; 6.25, 12.5, 25 μM; 24 hours) dose-dependently and dramatically lowers the amount of viral RNA copies and the expression of the NS3 and U87 MG proteins [1]. ZIKV replication in Vero E6 cells is inhibited by theaflavin 3,3'-digallate in a dose-dependent manner (EC50=7.65 μM). Up to 40 μM, theaflavin 3,3'-digallate exhibits a modest cytotoxic effect on Vero E6 cells. At the transcription and translation levels of genes, theaflavin 3,3'-digallate can impede post-entry processes in the ZIKV replication cycle [1]. It is generally accepted that theaflavin 3,3'-digallate inhibits carcinogenesis without causing unfavorable side effects by interfering with multiple signal transduction pathways, including p53 and p21 up-regulation, Akt phosphorylation inhibition, and MAPK pathways. components that are active. A downregulation of NF-κB modifies the ratio of pro-to anti-apoptotic proteins. Theaflavin 3,3'-digallate causes the expression of phospho-ERK1/2 and -MEK1/2 proteins to rapidly and persistently decline. HCT116 cell growth is inhibited by theaflavin 3,3'-digallate, with an IC50 of 17.26 μM[2].
Cell Assay
Western Blot analysis [1]
Cell Types: Vero E6 Cell
Tested Concentrations: 6.25, 12.5, 25 μM
Incubation Duration: 24 hrs (hours)
Experimental Results: NS3, U87 MG protein expression was Dramatically diminished in a dose-dependent manner.
References

[1]. Identification of Theaflavin-3,3'-Digallate as a Novel Zika Virus Protease Inhibitor. Front Pharmacol. 2020 Oct 21;11:514313.

[2]. Pre-treated theaflavin-3,3'-digallate has a higher inhibitory effect on the HCT116 cell line. Food Nutr Res. 2017 Nov 15;61(1):1400340.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C43H32O20
Molecular Weight
868.70
Exact Mass
868.148
CAS #
30462-35-2
Appearance
Brown to red solid powder
Density
2.0±0.1 g/cm3
Boiling Point
1324.7±65.0 °C at 760 mmHg
Melting Point
226-230℃
Flash Point
402.9±27.8 °C
Vapour Pressure
0.0±0.3 mmHg at 25°C
Index of Refraction
1.908
LogP
3.88
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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light.
Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
DMSO : ~100 mg/mL (~115.11 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (2.88 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 (2.88 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.

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Solubility in Formulation 3: 50 mg/mL (57.56 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication.


 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 1.1511 mL 5.7557 mL 11.5115 mL
5 mM 0.2302 mL 1.1511 mL 2.3023 mL
10 mM 0.1151 mL 0.5756 mL 1.1511 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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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