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1072959-67-1

中文名稱 N-[2-[2-(二甲基氨基)乙氧基]-4-(1H-吡唑-4-基)苯基]-2,3-二氫-1,4-苯并二惡烷-2-甲酰胺
英文名稱 N-[2-[2-(Dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxin-2-carboxamide
CAS 1072959-67-1
分子式 C22H24N4O4
分子量 408.45
MOL 文件 1072959-67-1.mol
更新日期 2024/10/28 15:49:04
1072959-67-1 結(jié)構(gòu)式 1072959-67-1 結(jié)構(gòu)式

基本信息

中文別名
ROCK-II抑制劑(SR-3677)
N-[2-[2-(二甲基氨基)乙氧基]-4-(1H-吡唑-4-基)苯基]-2,3-二氫-1,4-苯并二惡烷-2-甲酰胺
英文別名
SR3677
CS-1125
CS-2825
SR-3677
SR 3677
SR 3677 hydrochloride
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-1,4-benzodioxin-2-carboxamide
1,4-Benzodioxin-2-carboxamide, N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-
N-[2-[2-(Dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-benzo[b][1,4]dioxin-2-carboxamide

物理化學(xué)性質(zhì)

沸點(diǎn)646.9±55.0 °C(Predicted)
密度1.298
儲存條件Desiccate at RT
溶解度DMSO:可溶15mg/mL,澄清
酸度系數(shù)(pKa)11.90±0.70(Predicted)
形態(tài)粉末
顏色白色至淺棕色

安全數(shù)據(jù)

危險(xiǎn)性符號(GHS)GHS hazard pictograms
GHS07
警示詞警告
危險(xiǎn)性描述H315-H319-H335
危險(xiǎn)品標(biāo)志Xi
危險(xiǎn)類別碼36/37/38
安全說明26
WGK Germany3

常見問題列表

生物活性
SR-3677是高效的選擇性的ROCK-II抑制劑,IC50值為~3 nM。
靶點(diǎn)

ROCK-II

3 nM (IC 50 )

ROCK-I

56 nM (IC 50 )

體外研究

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.

體內(nèi)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.

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