Name: CDK9-IN-2
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212659427
Cas No:1263369-28-3
常用名:CDK9-IN-2
别名:N2'-(反式-4-氨基环己基)-5'-氯-N6-[(3-氟苯基)甲基]-[2,4'-联吡啶]-2',6-二胺
别名:N2'-(反式-4-氨基环己基)-5'-氯-N6-[(3-氟苯基)甲基]-[2,4'-联吡啶]-2',6-二胺
IUPAC:5'-chloro-N6-[(3-fluorophenyl)methyl]-N2'-[(1r,4r)-4-aminocyclohexyl]-[2,4'-bipyridine]-2',6-diamine
IUPAC:5'-chloro-N6-[(3-fluorophenyl)methyl]-N2'-[(1r,4r)-4-aminocyclohexyl]-[2,4'-bipyridine]-2',6-diamine
InChI key:XKHXPTSUVPZYDW-IYARVYRRSA-N

分子式:C23H25ClFN5
分子量:425.94
氢键供体数 (HBD):3
氢键受体数 (HBA):5
LogP:4.482338
SMILES:N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |wU:1.0,wD:4.7,(9.34,-10.01,;9.34,-11.55,;10.67,-12.32,;10.67,-13.86,;9.34,-14.63,;8,-13.86,;8,-12.32,;9.34,-16.17,;8,-16.94,;8,-18.48,;6.67,-19.25,;5.33,-18.48,;4,-19.25,;5.33,-16.94,;6.67,-16.17,;6.67,-20.79,;8,-21.56,;8,-23.1,;6.67,-23.87,;5.33,-23.1,;4,-23.87,;4,-25.41,;2.67,-26.18,;2.67,-27.72,;1.33,-28.49,;,-27.72,;,-26.18,;-1.33,-25.41,;1.33,-25.41,;5.33,-21.56,)|
SMILES:N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCc2cccc(F)c2)n1 |wU:1.0,wD:4.7,(9.34,-10.01,;9.34,-11.55,;10.67,-12.32,;10.67,-13.86,;9.34,-14.63,;8,-13.86,;8,-12.32,;9.34,-16.17,;8,-16.94,;8,-18.48,;6.67,-19.25,;5.33,-18.48,;4,-19.25,;5.33,-16.94,;6.67,-16.17,;6.67,-20.79,;8,-21.56,;8,-23.1,;6.67,-23.87,;5.33,-23.1,;4,-23.87,;4,-25.41,;2.67,-26.18,;2.67,-27.72,;1.33,-28.49,;,-27.72,;,-26.18,;-1.33,-25.41,;1.33,-25.41,;5.33,-21.56,)|

CDK9-IN-2 是一种特异性CDK9抑制剂。它在 A2058 皮肤细胞系（72 小时）和 H929 多发性骨髓瘤细胞系（72小时）的IC50分别为 7 nM 和 5 nM。

市场产品/服务共显示1个结果

您无法确定哪种化合物库最适合您的项目？或者您需要定制解决方案？Anymol随时为您提供帮助。

电话：400-820-0310

合作：info@screeningcompound.com

技术支持：tech@screeningcompound.com

客服：service@screeningcompound.com

正在加载 ~