Theophylline monohydrate (CAS 5967-84-0)

物理状态 :

Solid

溶解度 :

Soluble in water (8 g/L).

保存 :

Store at room temperature

熔点 :

270-274° C

折射率 :

n²⁰_D 1.62 (Predicted)

IC50 :

Adenylate cyclase type III: IC₅₀ = 940 nM (rat); Adenosine A1 receptor: IC₅₀ = 2430 nM (bovine); Cavia porcellus: IC₅₀ = 3000 nM

Ki 数据 :

Adenosine A2a receptor: K_i= 0.6 nM (human); Adenosine A3 receptor: K_i= 14 nM (human); Adenosine A2b receptor: K_i= 150 nM (rat)

RTECS :

XH3850000

PubChem CID :

Merck 索引 :

14: 9285

MDL 号码 :

MFCD00151659

EC号码 :

200-385-7

Beilstein 注册 :

13463

SMILES :

CN1C2=C(C(=O)N(C1=O)C)NC=N2.O