(−)Epicatechin gallate (CAS 1257-08-5)

Apariencia :

Powder

Estado de Materia :

Solid

Solubilidad :

Soluble in water (5 mg/ml) with heat and sonication as needed, yielding a clear, colorless solution, ethanol (~1 mg/ml), methanol (sparingly), DMSO (~10 mg/ml), and DMF (~14 mg/ml).

Almacenamiento :

Store at -20° C

Punto de Fusión :

255° C (lit.)

Punto de ebullición :

~861.7° C at 760 mmHg (Predicted)

Densidad :

~1.8 g/cm³ (Predicted)

Indice de Refracción :

n²⁰_D 1.83 (Predicted)

Actividad Óptica :

α20_D -191.6, c = 1 in acetone; α20_D -177±2, c = 1 in ethanol; α20_D -188±6, c = 1 in methanol

IC50 :

Reverse transcriptase: IC₅₀ = 20 nM (HIV-1); Binding affinity to opiate receptor: IC₅₀ = 36 nM; Glucose-6-phosphate 1-dehydrogenase: IC₅₀ = 0.18 µM (Saccharomyces cerevisiae S288c); Enoyl-acyl-carrier protein reductase: IC₅₀ = 0.2 µM (Plasmodium falciparum); PGD: IC₅₀ = 0.21 µM (human)

Datos Ki :

Reverse transcriptase: K_i= 2.8 nM (HIV-1(LAV)); Enoyl-acyl-carrier protein reductase: K_i= 16 nM (Plasmodium falciparum)

Valores de pK :

pK_a: 7.75 (Predicted)

WGK Alemania :

3

RTECS :

DH9030000

PubChem CID :

Número MDL :

MFCD00075936

Número EC :

207-710-1

SMILES :

C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O