| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| B422804-1ml |
1ml |
现货  |
|
| 英文别名 | HY-136789 | 2-Propenamide, N-[4-[[3-chloro-4-(2-pyridinylmethoxy)phenyl]amino]-7-[2-(4-morpholinyl)ethoxy]-6-quinazolinyl]- | s9786 | Tuxobertinib [USAN] | GTPL11676 | N-(4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-7-(2-morpholinoethoxy)quinazolin-6 |
|---|---|
| 规格或纯度 | Moligand™, 10mM in DMSO |
| 英文名称 | BDTX-189 |
| 生化机理 | BDTX-189 是一种强效的选择性异位表皮生长因子受体和 HER2 致癌突变抑制剂，对表皮生长因子受体、HER2、BLK 和 RIPK2 的 Kd 值分别为 0.2 nM、0.76 nM、13 nM 和 1.2 nM。BDTX-189 具有抗癌活性。 |
| 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 | 表皮生长因子受体 erbB1 负异调节剂 |
| 产品介绍 |
Information BDTX-189 is a potent and selective inhibitor of allostericEGFRandHER2oncogenic mutations with Kd of 0.2 nM, 0.76 nM, 13 nM and 1.2 nM for EGFR, HER2,BLKandRIPK2, reapectively. BDTX-189 exhibits anticancer activity. Targets EGFR (Cell-free assay); HER2 (Cell-free assay); RIPK2 (Cell-free assay); BLK (Cell-free assay) 0.2 nM(Kd); 0.76 nM(Kd); 1.2 nM(Kd); 13 nM(Kd) In vitro BDTX-189 is a potent, selective, irreversible active site inhibitor of the ERBB allosteric mutant oncogene family. BDTX-189 achieves a superior selectivity profile in cell-based assays. In vivo BDTX-189 is differentiated by potent, sustained inactivation of multiple allosteric ERBB mutants in vivo. BDTX-189 achieves dose-dependent regression of allosteric HER2 and EGFR tumors at well-tolerated doses. Cell Research(from reference) Cell lines：A431 cells, H292 cells Incubation Time：0-24 h |
| IC50 | HER2, Kd: 0.76 nM |
|---|---|
| ALogP | 4.401 |
| hba_count | 7 |
| HBD Count | 2 |
| Rotatable Bond | 11 |
| 分子类型 | 小分子 |
|---|---|
| IUPAC Name | N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-(2-morpholin-4-ylethoxy)quinazolin-6-yl]prop-2-enamide |
| INCHI | InChI=1S/C29H29ClN6O4/c1-2-28(37)35-25-16-22-24(17-27(25)39-14-11-36-9-12-38-13-10-36)32-19-33-29(22)34-20-6-7-26(23(30)15-20)40-18-21-5-3-4-8-31-21/h2-8,15-17,19H,1,9-14,18H2,(H,35,37)(H,32,33,34) |
| InChi Key | HIBPKFXWOPYJPZ-UHFFFAOYSA-N |
| Canonical SMILES | C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)OCCN5CCOCC5 |
| Isomeric SMILES | C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)OCCN5CCOCC5 |
| 分子量 | 561.03 |
| Reaxy-Rn | 36046686 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36046686&ln= |
| DMSO(mg / mL) Max Solubility | 100 |
|---|---|
| DMSO(mM) Max Solubility | 178.243587686933 |
| Water(mg / mL) Max Solubility | ＜1 |
| 分子量 | 561.000 g/mol |
| XLogP3 | 3.900 |
| 氢键供体数Hydrogen Bond Donor Count | 2 |
| 氢键受体数Hydrogen Bond Acceptor Count | 9 |
| 可旋转键计数Rotatable Bond Count | 11 |
| 精确质量Exact Mass | 560.194 Da |
| 单同位素质量Monoisotopic Mass | 560.194 Da |
| 拓扑极表面积Topological Polar Surface Area | 111.000 Ų |
| 重原子数Heavy Atom Count | 40 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 804.000 |
| 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 | 36046686 |
|---|---|
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36046686&ln= |
| Concentration | 9-11（mmol/L） |
|---|---|
| Proton NMR spectrum | Conforms to Structure |
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