| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| B421006-1ml |
1ml |
现货  |
|
| 别名 | 3-[3-[4-[(甲基氨基)甲基]苯基]-5-异恶唑基]-5-[4-[((1-甲基乙基)磺酰基]苯基]-2-吡嗪胺 |
|---|---|
| 英文别名 | 5-(4-(isopropylsulfonyl)phenyl)-3-(3-(4-((methylamino)methyl)phenyl)isoxazol-5-yl)pyrazin-2-amine | CHEBI:131166 | M6620 | M-6620 | AC-32951 | DTXSID601025940 | s7102 | BERZOSERTIB [INN] | NSC-777718 | D11148 | VX 970 | VX970 | VX-970 | AKOS025404905 | SC |
| 规格或纯度 | Moligand™, 10mM in DMSO |
| 英文名称 | Berzosertib |
| 生化机理 | 高效和选择性的ATR抑制剂。在基于细胞的检测（IC 50 = 19 nM）中抑制ATR活性。对PIKK，ATM和DNA-PK具有高度选择性（> 100倍）。抑制Chk1磷酸化并使细胞对XRT和吉西他滨敏感。 |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 作用类型 | 抑制剂 |
| 作用机制 | 丝氨酸蛋白激酶 ATR 抑制剂 |
| 产品介绍 |
Berzosertib (VE-822, VX970, M6620)是一种ATR抑制剂，在HT29细胞中IC50 为 19 nM。
Berzoserib (VE-822, VX970, M6620) is an ATR inhibitor with an IC50 of 19 nM in HT29 cells.
|
| ALogP | 2.3 |
|---|
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| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| 分子类型 | 小分子 |
|---|---|
| IUPAC Name | 3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine |
| INCHI | InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27) |
| InChi Key | JZCWLJDSIRUGIN-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N |
| Isomeric SMILES | CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N |
| 分子量 | 463.55 |
| Reaxy-Rn | 24022563 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24022563&ln= |
| 熔点 | >197°C |
|---|---|
| 分子量 | 463.600 g/mol |
| XLogP3 | 2.300 |
| 氢键供体数Hydrogen Bond Donor Count | 2 |
| 氢键受体数Hydrogen Bond Acceptor Count | 8 |
| 可旋转键计数Rotatable Bond Count | 7 |
| 精确质量Exact Mass | 463.168 Da |
| 单同位素质量Monoisotopic Mass | 463.168 Da |
| 拓扑极表面积Topological Polar Surface Area | 132.000 Ų |
| 重原子数Heavy Atom Count | 33 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 714.000 |
| 同位素原子数Isotope Atom Count | 0 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 0 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 0 |
| 定义的键立体中心计数Defined Bond Stereocenter Count | 0 |
| 未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
| 所有立体化学键的总数The total count of all stereochemical bonds | 0 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
| Reaxy-Rn | 24022563 |
|---|---|
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24022563&ln= |
| Concentration(Compounding value) | 9.0-11.0(mmol/L) |
|---|---|
| Appearance(Yellow-green Liquid) | Pass |
| Record the entire process by video | Conform |
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