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Merck
CN

SML4160

Theaflavin 3,3′-digallate

new

≥98% (HPLC), powder, antioxidant

Synonym(s):

3,4,5-Trihydroxy-benzoic acid (3,4,6-trihydroxy-5-oxo-5H-benzocycloheptene-1,8-diyl)bis[(2R,3R)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-2,3-diyl] ester, [3-hydroxy-5-oxo-4-(3,4,5-trihydroxybenzoyl)oxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-6-yl] 3,4,5-trihydroxybenzoate

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About This Item

Empirical Formula (Hill Notation):
C43H32O20
CAS Number:
30462-35-2
Molecular Weight:
868.70
MDL number:
MFCD06797365

Key Documents

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Quality Level

100

Assay

≥98% (HPLC)

form

powder

color

, Light orange to very dark red

solubility

DMSO: 2 mg/mL, clear

storage temp.

-10 to -25°C

SMILES string

O=C1C(C(O)=C(O)C=C2[C@@H]3[C@H](OC(C4=CC(O)=C(O)C(O)=C4)=O)CC(C(O)=CC(O)=C5)=C5O3)=C2C=C([C@H]6OC(C=C(O)C=C7O)=C7C[C@H]6OC(C8=CC(O)=C(O)C(O)=C8)=O)C=C1O

General description

Theaflavin-3,3′-digallate (TFDG) is a polyphenol obtained from the leaves of Camellia sinensis. It is an ingredient of black tea that exhibits anti-inflammatory, antioxidant, anticancer, andantiviral activities. Theaflavins (TFs) exhibit significant potential as antimicrobial agents. TFDG is a promising broad-spectrum antibacterial and anti-spore agent effective against Gram-positive and Gram-negative bacteria, acid-fast bacteria, and endospores. It is a potent ligand of the SARS-uniquedomain (SUD) of nsp3 that disrupt the SUD-guanine quadruplex interactions. Theaflavin 3,3’-digallate potently inhibits SARS-CoV-2 replication in VeroE6-TMPRSS2 cells.

Application

Theaflavin3,3′-digallate is suitable for use to study its effects on the proliferation ofchondrocytes in osteoarthritis (OA) rat model.

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000438629
0000438629

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