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- 2025年10月10日
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- 详细信息
- 技术资料
- 保存条件：
Powder:2-8℃，2 years;Insolvent(母液):-20℃，6 months;-80℃，1 year
- 保质期：
Powder:2-8℃，2 years;Insolvent(母液):-20℃，6 months;-80℃，1 year
- 英文名：
AZ505 ditrifluoroacetate
- 库存：
现询
- 供应商：
北京索莱宝科技有限公司
- CAS号：
1035227-44-1
- 规格：
25mg/10mg/5mg
| 规格： | 25mg | 产品价格： | ￥3890.0 |
|---|---|---|---|
| 规格： | 10mg | 产品价格： | ￥2690.0 |
| 规格： | 5mg | 产品价格： | ￥1690.0 |
| 基本信息 | |
| CAS | No.1035227-44-1 |
| 英文名称 | AZ505 ditrifluoroacetate |
| 别名 | AZ505ditrifluoroacetate |
| 分子式 | C33H40Cl2F6N4O8 |
| 分子量 | 805.59 |
| 溶解性 | Soluble in DMSO ≥10mg/mL(Need ultrasonic) |
| 纯度 | ≥98% |
| 外观(性状) | White to light yellow Solid |
| 储存条件 | Powder:2-8℃，2 years;Insolvent(母液):-20℃，6 months;-80℃，1 year |
| 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 |
| InChIKey | LTZSXVZCRINTGV-UHFFFAOYSA-N |
| InChI | 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) |
| PubChem CID | 78357790 |
| 靶点 | SMYD2 |
| 通路 | Epigenetics |
| 背景说明 | AZ505 ditrifluoroacetate 是一种有效，选择性的 SMYD2 抑制剂。 |
| 生物活性 | AZ505 ditrifluoroacetate is a potent and selective SMYD2 inhibitor with IC50 of 0.12 μM.[1] |
| IC50 | IC50: 0.12 μM (SMYD2)[1] |
| In Vitro | AZ505 ditrifluoroacetate is highly selective and shows an activity at submicromolar concentrations in vitro. The IC50 of AZ505 ditrifluoroacetate for SMYD2 is 0.12 μM， which is >600-fold greater than the IC50s of AZ505 ditrifluoroacetate for other histone methyltransferases， such as SMYD3 (IC50>83.3 μM)， DOT1L (IC50>83.3 μM) and AZ505 ditrifluoroacetate (IC50>83.3 μM)[1]. AZ505 ditrifluoroacetate is a potent and selective SMYD2 inhibitor with an IC50 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 Kd of 0.5 μM. In contrast， the calculated Kd 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[2]. |
| 激酶实验 | SMYD2 is expressed in insect cells and purified. AlphaScreen technology is used to screen our chemical library for small molecule inhibitors of SMYD2. Methylation (12 μL) reactions are carried out in TDT buffer (50 mM Tris-HCl [pH 9.0]， 2 mM DTT， and 0.01% Tween 20) at room temperature using 1.25 nM SMYD2 protein， 200 nM SAM， and 100 nM biotinylated p53 peptide substrate (Biotin-aminohexanoyl-GSRAHSSHLKSKKGQSTSRH) in low volume 384-well plates. Following a 75 min incubation period， reactions are quenched by the addition of 5 μL of detection solution (20 mM HEPES [pH 7.4]， 1.7 mg/mL BSA， 340 mM NaCl， 680 μM SAH， 0.04 mg/mL Streptavidin-coated AlphaScreen donor， and Protein A-coated acceptor beads)， and 1 nM of a custom p53K370me1 polyclonal antibody. Reaction plates are incubated overnight in the dark at room temperature， and read using an Envision 2101 Multi-label Reader. Compounds showing >50% inhibition of SMYD2 are nominated for concentration dose-response determination， and are also subjected to an artifact assay. Seven compound concentrations are selected beginning at 30 μM with six half-log dilution steps. The artifact assay conditions are identical to those in the SMYD2 enzymatic activity assay， except for the absence of SMYD2 protein and the presence of 1 nM methylated p53 peptide. IC50 values are calculated from dose-response data using in-house software[2]. |
| 数据来源文献 | [1]. Komatsu S， et al. Overexpression of SMYD2 contributes to malignant outcome in gastric cancer. Br J Cancer. 2015 Jan 20;112(2):357-64. [2]. Ferguson AD， et al. Structural basis of substrate methylation and inhibition of SMYD2. Structure. 2011 Sep 7;19(9):1262-73. |
| 单位 | 瓶 |
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IA7550 AZ505 ditrifluoroacetate 表观遗传学 索莱宝
￥1690 - 3890
