1035227-44-1

中文名称 N-环己基-3-[[2-(3,4-二氯苯基)乙基]氨基]-N-[2-[[2-(3,4-二氢-5-羟基-3-氧代-2H-1,4-苯并恶嗪-8-基)乙基]氨基]乙基]丙酰胺二(2,2,2-三氟乙酸盐)

英文名称 AZ-505

CAS 1035227-44-1

分子式 C33H40Cl2F6N4O8

分子量 805.589

MOL 文件 1035227-44-1.mol

更新日期 2023/03/20 15:41:36

1035227-44-1 结构式

基本信息物理化学性质图谱信息 N-环己基-3-[[2-(3,4-二氯苯基)乙基]氨基]-N-[2-[[2-(3,4-二氢-5-羟基-3-氧代-2H-1,4-苯并恶嗪-8-基)乙基]氨基]乙基]丙酰胺二(2,2,2-三氟乙酸盐)价格(试剂级) 常见问题列表

基本信息

中文别名

SMYD2抑制剂
AZ505 三氟乙酸盐
N-环己基-3-[[2-(3,4-二氯苯基)乙基]氨基]-N-[2-[[2-(3,4-二氢-5-羟基-3-氧代-2H-1,4-苯并恶嗪-8-基)乙基]氨基]乙基]丙酰胺二(2,2,2-三氟乙酸盐)

英文别名

AZ-505
AZ-505
AZ505
AZ 505
AZ505 (ditrifluoroacetate)
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]propanamide 2,2,2-trifluoroacetate (1:2)

所属类别

生物化工：激动剂抑制剂

物理化学性质

储存条件-20°C储存

溶解度insoluble in H2O; ≥119.8 mg/mL in DMSO; ≥7.3 mg/mL in EtOH with ultrasonic

形态粉末

颜色White to light yellow

图谱信息

N-环己基-3-[[2-(3,4-二氯苯基)乙基]氨基]-N-[2-[[2-(3,4-二氢-5-羟基-3-氧代-2H-1,4-苯并恶嗪-8-基)乙基]氨基]乙基]丙酰胺二(2,2,2-三氟乙酸盐)(1035227-44-1)核磁图(¹HNMR)

常见问题列表

生物活性

AZ505 ditrifluoroacetate 是一种有效，选择性的 SMYD2 抑制剂，IC50 为 0.12 μM。

靶点

IC50: 0.12 μM (SMYD2)

体外研究

AZ505 ditrifluoroacetate is highly selective and shows an activity at submicromolar concentrations in vitro. The IC ₅₀ of AZ505 ditrifluoroacetate for SMYD2 is 0.12 μM, which is >600-fold greater than the IC ₅₀ s of AZ505 ditrifluoroacetate for other histone methyltransferases, such as SMYD3 (IC ₅₀ >83.3 μM), DOT1L (IC ₅₀ >83.3 μM) and AZ505 ditrifluoroacetate (IC ₅₀ >83.3 μM). AZ505 ditrifluoroacetate 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 ditrifluoroacetate fails to inhibit the enzymatic activities of a panel of protein lysine methyltransferases. AZ505 ditrifluoroacetate 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 ditrifluoroacetate binding to SMYD2 is driven primarily by entropy, which often suggests that binding is mediated by hydrophobic interactions with few specific hydrogen bonds.