Embelin (CAS 550-24-3)

Physical State :

Solid

Derived From :

Embelia ribes

Solubility :

Soluble in DMSO (>10 mg/ml), methanol, ethanol (10 mM), and chloroform. Insoluble in water.

Storage :

Store at -20° C

Boiling Point :

~431.9° C at 760 mmHg (Predicted)

Density :

~1.1 g/cm³ (Predicted)

Refractive Index :

n²⁰_D 1.54

IC50 :

cell growth, induces apoptosis and activates caspase-9 : IC₅₀ = 4-6 µM ( prostate cancer cells); cell growth, induces apoptosis and activates caspase-9 : IC₅₀ = 19-20 µM (normal prostate cells); BGC-823 (Stomach adenocarcinoma cells): IC₅₀ = 1.69 µM (human); PC-3 (Prostate carcinoma cells): IC₅₀ = 3.7 µM (human); A549 (Lung carcinoma cells): IC₅₀ = 1.47 µM (human); Jurkat (Acute leukemic T-cells): IC₅₀ = 20 µM (human); Inhibitor of apoptosis protein 3: IC₅₀ = 4.1 µM (human); LNCaP (Prostate carcinoma): IC₅₀ = 5.70 µM (human); WI-38 5000: IC₅₀ = 19.3 µM (human); A2780 (Ovarian carcinoma cells): IC₅₀ = 1.79 µM (human); PrEC₅₀: IC₅₀ = 20.1 µM (human); Bel-7402 (Hepatoma cells): IC₅₀ = 1.66 µM (human); WI-38 (Embryonic lung fibroblast cells): IC₅₀ = 19.3 µM (human); SK(−)GAS Group A Streptococcus: EC₅₀50 = 1.58 µM; Streptokinase Promotor Activity: EC₅₀50 = 1.67 µM; Streptococcus: EC₅₀50 = 3.32 µM; mammalian fibroblasts: EC₅₀50 = 5.02 µM

Ki Data :

Inhibitor of apoptosis protein 3: K_i= 400 nM (human)

pK Values :

pK_a: 2.84

WGK Germany :

3

RTECS :

DK4230000

PubChem CID :

Merck Index :

14: 3555

MDL Number :

MFCD00016369

EC Number :

208-979-8

SMILES :

CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O