Benzbromarone (CAS 3562-84-3)

物理状态 :

Solid

保存 :

Store at 4° C

密度 :

1.71 g/cm³ (Predicted)

折射率 :

n²⁰_D 1.67 (Predicted)

IC50 :

MAP kinase p38 alpha: IC₅₀ = 1235 nM (human); Nuclear receptor corepressor 2: IC₅₀ = 4811 nM (human); ADORA3 protein: IC₅₀ = 5222 nM (human); MAP kinase ERK2: IC₅₀ = 1946 nM (Plasmodium falciparum 3D7); Peroxisome proliferator-activated receptor gamma: IC₅₀ = 4811 nM (human); Solute carrier family 22 member 12: IC₅₀ = 300 nM (human); Serotonin 2b (5-HT2b) receptor: IC₅₀ = 1804 nM (human); Aldo-keto reductase family 1 member C1: IC₅₀ = 48 nM (human); Cytochrome P450 2C9: IC₅₀ = 16 nM (human); Solute carrier family 22 member 12: IC₅₀ = 26 nM (human); Multidrug resistance-associated protein 1: IC₅₀ = 4000 nM (human); Streptokinase A: EC₅₀50 = 6550 nM (Streptococcus pyogenes serotype M1)

Ki 数据 :

Cytochrome P450 2C9: K_i= 19 nM (human); ADORA3 protein: K_i= 2952 nM (human); Cytochrome P450 2C19: K_i= 3700 nM (human); Multidrug resistance-associated protein 1: K_i= 190 nM (human); Serotonin 2b (5-HT2b) receptor: K_i= 1148 nM (human)

pK值 :

pK_a: 4.66

德国水公害等级 :

3

RTECS :

OB1804200

PubChem CID :

Merck 索引 :

14: 1065

MDL 号码 :

MFCD00078962

EC号码 :

222-630-7

SMILES :

CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)O)Br