1-Naphthyl isothiocyanate (CAS 551-06-4)

外观 :

Crystalline powder

物理状态 :

Solid

溶解度 :

Soluble in water (hydrolyzes), hot ethanol (very faint turbidity), ether, acetone, and benzene.

保存 :

Store at room temperature

熔点 :

55.5-57° C (lit.)

沸点 :

~339.3° C at 760 mmHg (Predicted)

密度 :

~1.1 g/cm³ (Predicted)

折射率 :

n²⁰_D ~1.62 (Predicted)

IC50 :

CYP1A2: IC₅₀ = 1 µM (human); Adenosine A3-R: IC₅₀ = 6.1 µM (human); α2A-AR: IC₅₀ = 6.27 µM (human); CKR-2B: IC₅₀ = 6.70 µM (human); ST: IC₅₀ = 14.29 µM (human)

Ki 数据 :

α2A-AR: K_i= 2.35 µM (human); CKR-2B: K_i= 2.59 µM (human); Adenosine A3-R: K_i= 3.45 µM (human); GR: K_i= 7.00 µM (human); ST: K_i= 7.59 µM (human)

德国水公害等级 :

3

RTECS :

NX9100000

PubChem CID :

Merck 索引 :

14: 6411

MDL 号码 :

MFCD00003882

EC号码 :

208-990-8

Beilstein 注册 :

637868

SMILES :

C1=CC=C2C(=C1)C=CC=C2N=C=S