N-环己基-3-(3,4-二氯苯乙基氨基)-N-[2-[[2-[5-羟基-3-氧代-3,4-二氢-2H-苯并[B][1,4]恶嗪-8-基]乙基]氨基]乙基]丙酰胺
| 中文名称 | N-环己基-3-(3,4-二氯苯乙基氨基)-N-[2-[[2-[5-羟基-3-氧代-3,4-二氢-2H-苯并[B][1,4]恶嗪-8-基]乙基]氨基]乙基]丙酰胺 |
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| 中文同义词 | N-环己基-3-(3,4-二氯苯乙基氨基)-N-[2-[[2-[5-羟基-3-氧代-3,4-二氢-2H-苯并[B][1,4]恶嗪-8-基]乙基]氨基]乙基]丙酰胺;AZ505 FREE BASE; AZ505; AZ-505; AZ 505;;化合物AZ505 |
| 英文名称 | AZ505 |
| 英文同义词 | N-Cyclohexyl-N3-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[2-(5-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-alaninamide;N-Cyclohexyl-3-(3,4-dichlorophenethylamino)-N-[2-[[2-[5-hydroxy-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-8-yl]ethyl]amino]ethyl]propanamide;AZ-505;AZ 505;CS-2253;Propanamide, N-cyclohexyl-3-[[2-(3,4-dichlorophenyl)ethyl]amino]-N-[2-[[2-(3,4-dihydro-5-hydroxy-3-oxo-2H-1,4-benzoxazin-8-yl)ethyl]amino]ethyl]-;AZ505 free base;Histone Methyltransferase,AZ 505,inhibit,AZ505,Inhibitor,AZ-505 |
| CAS号 | 1035227-43-0 |
| 分子式 | C29H38Cl2N4O4 |
| 分子量 | 577.54 |
| EINECS号 | |
| 相关类别 | 对照品 |
| Mol文件 | 1035227-43-0.mol |
| 结构式 | ![N-环己基-3-(3,4-二氯苯乙基氨基)-N-[2-[[2-[5-羟基-3-氧代-3,4-二氢-2H-苯并[B][1,4]恶嗪-8-基]乙基]氨基]乙基]丙酰胺 结构式](CAS/20150408/GIF/1035227-43-0.gif) |
N-环己基-3-(3,4-二氯苯乙基氨基)-N-[2-[[2-[5-羟基-3-氧代-3,4-二氢-2H-苯并[B][1,4]恶嗪-8-基]乙基]氨基]乙基]丙酰胺 性质
| 沸点 | 782.5±60.0 °C(Predicted) |
|---|---|
| 密度 | 1.32±0.1 g/cm3(Predicted) |
| 储存条件 | Store at -20°C |
| 溶解度 | 溶于二甲基亚砜 |
| 形态 | 结晶固体 |
| 酸度系数(pKa) | 8.59±0.20(Predicted) |
| 颜色 | 米白色至浅棕色 |
IC50: 0.12 μM (SMYD2)
AZ505 is highly selective and shows an activity at submicromolar concentrations in vitro. The IC 50 of AZ505 for SMYD2 is 0.12 μM, which is >600-fold greater than the IC 50 s of AZ505 for other histone methyltransferases, such as SMYD3 (IC 50 >83.3 μM), DOT1L (IC 50 >83.3 μM) and EZH2 (IC 50 >83.3 μM). AZ505 is a potent and selective SMYD2 inhibitor with an IC 50 of 0.12 μM. The human SMYD (SET and MYND domain-containing protein) family of protein lysine methyltransferases contains five members (SMYD1-5). Moreover, AZ505 fails to inhibit the enzymatic activities of a panel of protein lysine methyltransferases. AZ505 is nominated for ITC binding study with K d of 0.5 μM. In contrast, the calculated K d for the p53 substrate peptide is 3.7 μM. AZ505 binding to SMYD2 is driven primarily by entropy, which often suggests that binding is mediated by hydrophobic interactions with few specific hydrogen bonds.