Bithionol (CAS 97-18-7)

外观 :

Powder

物理状态 :

Solid

溶解度 :

Soluble in acetone, chloroform, ether, alcohol, and water (0.004 mg/ml at 25° C).

保存 :

Store at room temperature

熔点 :

188° C

沸点 :

~444.7° C at 760 mmHg (Predicted)

密度 :

1.73 g/cm³ at 20° C

折射率 :

n²⁰_D 1.74 (Predicted)

IC50 :

p38α: IC₅₀ = 318 nM (human); ERK 2: IC₅₀ = 385 nM (human); mTORC2: IC₅₀ = 614 nM (human); Adenosine A3-R: IC₅₀ = 829 nM (human); Adenosine A2A-R: IC₅₀ = 1.17 µM (human)

Ki 数据 :

Adenosine A3-R: K_i= 468 nM (human); α2B-AR: K_i= 560 nM (human); α2C-AR: K_i= 638 nM (human); Adenosine A2A-R: K_i= 655 nM (human); SLC6A2: K_i= 1.23 µM (human)

pK值 :

pK_a: pK₁: 4.82, pK₂: 10.50

德国水公害等级 :

3

RTECS :

SN0525000

运输 :

UN 2811, Class 6.1, Packing group II

PubChem CID :

Merck 索引 :

14: 1306

MDL 号码 :

MFCD00055727

EC号码 :

202-565-0

Beilstein 注册 :

2003535

SMILES :

C1=C(C=C(C(=C1Cl)O)SC2=CC(=CC(=C2O)Cl)Cl)Cl