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名称
AZ505 ditrifluoroacetate
别名
AZ505 二三氟乙酸盐
英文名称
AZ505 ditrifluoroacetate
货号
A650129-5mg
包装规格
5mg
浓度
≥99%
储存温度
2-8°C储存,干燥
运输条件
冰袋运输
产品介绍
AZ505 ditrifluoroacetate is a potent and selective SMYD2 inhibitor with IC 50 of 0.12 μM. In Vitro 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. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:IC50: 0.12 μM (SMYD2)
生化机理
AZ505 二三氟乙酸酯是一种强效的选择性 SMYD2 抑制剂，其 IC 50 为 0.12 μM。
CAS号
1035227-44-1
分子式
C33H40Cl2F6N4O8
分子量
805.6 g/mol
PubChem编号
78357790
Isomeric SMILES
C1CCC(CC1)N(CCNCCC2=C3C(=C(C=C2)O)NC(=O)CO3)C(=O)CCNCCC4=CC(=C(C=C4)Cl)Cl.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
IIUPAC Name
N-cyclohexyl-3-[2-(3,4-dichlorophenyl)ethylamino]-N-[2-[2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethylamino]ethyl]propanamide;2,2,2-trifluoroacetic acid
INCHI
1S/C29H38Cl2N4O4.2C2HF3O2/c30-23-8-6-20(18-24(23)31)10-13-32-15-12-27(38)35(22-4-2-1-3-5-22)17-16-33-14-11-21-7-9-25(36)28-29(21)39-19-26(37)34-28;2*3-2(4,5)1(6)7/h6-9,18,22,32-33,36H,1-5,10-17,19H2,(H,34,37);2*(H,6,7)
InChi Key
LTZSXVZCRINTGV-UHFFFAOYSA-N
Smiles
C1CCC(CC1)N(CCNCCC2=C3C(=C(C=C2)O)NC(=O)CO3)C(=O)CCNCCC4=CC(=C(C=C4)Cl)Cl.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
PubChem CID
78357790
溶解性
DMSO : ≥ 125 mg/mL (155.17 mM)
氢键供体数Hydrogen Bond Donor Count
6
氢键受体数Hydrogen Bond Acceptor Count
16
可旋转键计数Rotatable Bond Count
13
精确质量Exact Mass
804.213 Da
单同位素质量Monoisotopic Mass
804.213 Da
拓扑极表面积Topological Polar Surface Area
178.000 Ų
重原子数Heavy Atom Count
53
形式电荷Formal Charge
0
复杂度Complexity
855.000
同位素原子数Isotope Atom Count
0
共价键合单元计数Covalently-Bonded Unit Count
3
危险属性
「暂无危险属性」
上下游信息
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技术文档
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AZ505 ditrifluoroacetate 5mg
品牌：阿拉丁
货号：A650129-5mg
级别： ≥99%
货期：30天
已售 976 件
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