Ethisterone (CAS 434-03-7)

外观 :

Crystalline powder

物理状态 :

Solid

溶解度 :

Soluble in chloroform, DMSO (0.05 mg/ml), acetone (slightly ), ethanol (<1 mg/ml at 25° C), and water (<1 mg/ml at 25° C).

保存 :

Store at room temperature

熔点 :

263-269° C (lit.)

沸点 :

~446.4° C at 760 mmHg (Predicted)

密度 :

~1.1 g/cm³ (Predicted)

折射率 :

n²⁰_D 1.57 (Predicted)

光学活性 :

α20/D +31.5°±2.5°, c = 1 in Pyridine

IC50 :

Tyrosinase: IC₅₀ = 2.61 nM (Agaricus bisporus); Progesterone receptor: IC₅₀ = 59 nM (bovine); Androgen Receptor: IC₅₀ = 67 nM (rat); GR: IC₅₀ = 209 nM (human); Serotonin 2a : EC₅₀50 = 5.85 µM (mouse)

Ki 数据 :

Progesterone receptor: K_i= 7.75 nM (bovine); Androgen Receptor: K_i= 44 nM (rat); GR: K_i= 95 nM (human)

pK值 :

pK_a: 13.1 (Predicted)

德国水公害等级 :

3

RTECS :

TU5570250

PubChem CID :

Merck 索引 :

14: 3741

MDL 号码 :

MFCD00003656

EC号码 :

207-096-5

Beilstein 注册 :

1889895

SMILES :

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#C)O)C