2-[[5-氯-2-[[2-甲氧基-4-(4-甲基-1-哌嗪基)苯基]氨基]-4-嘧啶基]氨基]-N-甲基苯磺酰胺

中文名称:

2-[[5-氯-2-[[2-甲氧基-4-(4-甲基-1-哌嗪基)苯基]氨基]-4-嘧啶基]氨基]-N-甲基苯磺酰胺

中文同义词:

2-[[5-氯-2-[[2-甲氧基-4-(4-甲基-1-哌嗪基)苯基]氨基]-4-嘧啶基]氨基]-N-甲基苯磺酰胺;ALK抑制剂(ALK INHIBITOR 2);化合物ALK INHIBITOR 2

英文名称:

ALK inhibitor 2

英文同义词:

ALK inhibitor 2;BenzenesulfonaMide, 2-[[5-chloro-2-[[2-Methoxy-4-(4-Methyl-1-piperazinyl)phenyl]aMino]-4-pyriMidinyl]aMino]-N-Methyl-;2-[[5-Chloro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]amino]-N-methylbenzenesulfonamide;2-[[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;2-[[5-chloro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]amino]-N-methyl-;2-((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)-N-methylbenzenesulfonamide

CAS号:

761438-38-4

分子式:

C23H28ClN7O3S

分子量:

518.03

EINECS号:

相关类别:

小分子抑制剂;小分子抑制剂，天然产物;细胞生物学试剂;Inhibitors

Mol文件:

761438-38-4.mol

沸点 

712.4±70.0 °C(Predicted)

密度 

1.371±0.06 g/cm3(Predicted)

酸度系数(pKa)

11.27±0.10(Predicted)

生物活性

ALK inhibitor 2 (compound 18) 是一种有效的，嘧啶类 ALK 抑制剂。ALK inhibitor 2 是有效的睾丸特异性丝氨酸/苏氨酸激酶 2 (TSSK2; IC50=37 nM) 和粘着斑激酶 (FAK; IC50=5 nM) 抑制剂。

靶点

IC50: 37 nM (TSSK2) and 5 nM (FAK)

体外研究

Testis-specific serine/threonine kinase 2 (TSSK2) is an important target for reversible male contraception. ALK inhibitor 2 (compound 18) contains a methylpiperazine A ring (R1=Me, X=N) and a D ring with R5=methylsulfonamide. ALK inhibitor 2 can undergo metabolic oxidation to form reactive adducts in the presence of glutathione.