| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| B420874-1ml |
1ml |
现货  |
|
| 英文别名 | 1197953-54-0 | NCGC00483924-01 | (2-((5-chloro-2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide | 2,4-Pyrimidinediamine, 5-chloro-N4-(2-(dimethylphosphinyl)phenyl)-N2-(2-methoxy-4-( |
|---|---|
| 规格或纯度 | Moligand™, 2mM in DMSO |
| 英文名称 | Brigatinib (AP26113) |
| 生化机理 | Brigatinib (AP26113) 是一种强效的选择性 ALK（IC50，0.6 nM）和 ROS1（IC50，0.9 nM）抑制剂。它还能抑制 IGF-1R、FLT3、FLT3 突变体（D835Y）和表皮生长因子受体（EGFR），但抑制作用较弱。 |
| 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 抑制剂 |
| 产品介绍 |
Information Brigatinib (AP26113) Brigatinib (AP26113) is a potent and selective ALK (IC50, 0.6 nM) and ROS1 (IC50, 0.9 nM) inhibitor. It also inhibits IGF-1R, FLT3, and mutant variants of FLT3 (D835Y) and EGFR with lower potentcy. Targets ALK (Cell-free assay); ROS1 (Cell-free assay); FLT3 (Cell-free assay); IGF1R (Cell-free assay); EGFR(C797S/del19) (cell-based) 16489,0.37 nM; 1.9 nM ;2.1 nM; 24.9 nM; 39.9 nM In vitro Beyond ALK, IGF1R, and InsR, brigatinib also potently inhibits FLT3 and ROS1 with IC50 values of 2.1 and 1.9 nM, respectively. It does not show significant activity toward c-Met or Ron up to 1 μM. Brigatinib overcomes the resistance of EGFR-triple-mutant and the activity depends on ATP-competitive manner with less affection to wild-type EGFR. In vivo Mouse PK parameters for Brigatinib following oral dosing (10 mg/kg): Cmax=448 ng/mL,t1/2=5.8 h. And in CD rats, after dosing at 3 mg/kg i.v, CL=0.46 L/(h·kg), t1/2=4.8 h, Vss=7.8 L/kg; Dosed at 10 mg/kg p.o, Cmax=305 ng/mL, tmax=4 h, t1/2=3.4 h， F%=52. Brigatinib demonstrates dose-dependent antitumor activity. Brigatinib demonstrates growth inhibition activity in PC9 triple-mutant xenograft model and in combination with anti-EGFR antibody to potentiate the efficacy both in vitro and in vivo as shown in first-generation EGFR-TKI-resistant patients. Cell Research(from reference) Cell lines：U937 cells, Karpas-299 cells, H3122 cells Incubation Time：72 h |
| ALogP | 5.084 |
|---|---|
| hba_count | 6 |
| HBD Count | 2 |
| Rotatable Bond | 8 |
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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 | 5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine |
| INCHI | InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34) |
| InChi Key | AILRADAXUVEEIR-UHFFFAOYSA-N |
| Canonical SMILES | CN1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC |
| Isomeric SMILES | CN1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC |
| 分子量 | 584.09 |
| Reaxy-Rn | 24922530 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24922530&ln= |
| DMSO(mg / mL) Max Solubility | 3 |
|---|---|
| DMSO(mM) Max Solubility | 5.13619476450547 |
| Water(mg / mL) Max Solubility | ＜1 |
| 分子量 | 584.100 g/mol |
| XLogP3 | 4.600 |
| 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 | 8 |
| 精确质量Exact Mass | 583.259 Da |
| 单同位素质量Monoisotopic Mass | 583.259 Da |
| 拓扑极表面积Topological Polar Surface Area | 85.900 Ų |
| 重原子数Heavy Atom Count | 40 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 835.000 |
| 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 |
| 象形图 | GHS06, GHS08, GHS09 |
|---|---|
| 信号词 | Danger |
| 危险声明 |
H301: 吞咽会中毒 H410: 对水生生物有剧毒并具有长期持续影响 H372: 通过长时间或反复暴露对器官造成损害 H361: 怀疑破坏生育力或未出生的孩子 |
| 预防措施声明 |
P273: 避免释放到环境中。 P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P321: 特殊处理（请参阅此标签上的...）。 P405: 密闭存放 P501: 将内容物/容器处理到。。。 P264: 处理后要彻底洗手。 P260: 不要吸入灰尘/烟雾/气体/雾/蒸汽/喷雾。 P270: 使用本产品时，请勿进食、饮水或吸烟。 P391: 收集溢出物 P330: 漱口 P203: 使用前，获取、阅读并遵守所有安全说明。 P301+P316: 如果吞咽：立即寻求紧急医疗救助。 P318: 如果暴露或担心，请就医。 P319: 如果你感到不适，请寻求医疗帮助。 |
| Reaxy-Rn | 24922530 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24922530&ln= |
| Concentration(Compounding value) | 1.0-3.0（mmol/L） |
|---|---|
| Record the entire process by video | Conform |
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