N-[2-[2-(二甲基氨基)乙氧基]-4-(1H-吡唑-4-基)苯基]-2,3-二氢-1,4-苯并二恶烷-2-甲酰胺

中文名称:

N-[2-[2-(二甲基氨基)乙氧基]-4-(1H-吡唑-4-基)苯基]-2,3-二氢-1,4-苯并二恶烷-2-甲酰胺

中文同义词:

N-[2-[2-(二甲基氨基)乙氧基]-4-(1H-吡唑-4-基)苯基]-2,3-二氢-1,4-苯并二恶烷-2-甲酰胺;ROCK-II抑制剂(SR-3677)

英文名称:

N-[2-[2-(Dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxin-2-carboxamide

英文同义词:

SR3677;N-[2-[2-(Dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl-2,3-dihydro-1,4-benzodioxin-2-carboxamidehydrochloride;SR 3677 hydrochloride;N-(2-(2-(diMethylaMino)ethoxy)-4-(1H-pyrazol-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxaMide;SR 3677 dihydrochloride;N-(2-(2-(Dimethylamino)ethoxy)-4-(1H-pyrazol-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-ca;N-[2-[2-(Dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-benzo[b][1,4]dioxin-2-carboxamide;N-[2-[2-(Dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxin-2-carboxamide

CAS号:

1072959-67-1

分子式:

C22H24N4O4

分子量:

408.45

EINECS号:

相关类别:

细胞生物学试剂

Mol文件:

1072959-67-1.mol

沸点 

646.9±55.0 °C(Predicted)

密度 

1.298

储存条件 

Desiccate at RT

溶解度 

DMSO: soluble15mg/mL, clear

形态

powder

酸度系数(pKa)

11.90±0.70(Predicted)

颜色

white to light brown

生物活性

SR-3677是高效的选择性的ROCK-II抑制剂，IC50值为~3 nM。

靶点

ROCK-II 3 nM (IC 50 ) ROCK-I 56 nM (IC 50 )

ROCK-II 3 nM (IC 50 )

ROCK-I 56 nM (IC 50 )

体外研究

SR-3677 has an IC 50 of ~3 nM in enzyme and cell based assays and has an off-target hit rate of 1.4% against 353 kinases, and inhibits only 3 out of 70 nonkinase enzymes and receptors. The IC 50 value of SR-3677 for ROCK-I is 56±12 nM. The hydrophobic interaction of the benzodioxane phenyl ring with the hydrophobic surface of the pocket is the dominating factor that contributes to the high potency of SR-3677.

体内研究

ExVivo: Pharmacology studies shows that SR-3677 is efficacious in both, increasing ex vivo aqueous humor outflow in porcine eyes and inhibiting myosin light chain phosphorylation. Continuous exposure of 25 µM SR-3677 increases the outflow facility by 60% at 1 h perfusion, increasing to 70–80% for the 2–5 h time points.

危险品标志 

Xi

危险类别码 

36/37/38

安全说明 

26

WGK Germany 

3