| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| A423984-1ml |
1ml |
现货  |
|
| 别名 | 阿法替尼 | 阿法替尼 |
|---|---|
| 英文别名 | BIBW2992 | (2E)-N-(4-(3-chloro-4-fluoroanilino)-7-(((3S)-oxolan-3-yl)oxy)quinoxazolin-6-yl)-4-(dimethylamino)but-2-enamide | AFATINIB [MI] | AKOS001015518 | BIBW2992 - Afatinib | NSC799327 | NSC-799327 | 850140-72-6 (free base) | Afatinib [USAN:INN] | EX- |
| 规格或纯度 | 10mM in DMSO |
| 英文名称 | Afatinib |
| 生化机理 | 强力，不可逆的Her2 / ErbB 2和EGFR激酶抑制剂（EGFR（wt），EGFR（L858R），EGFR（L858R / T790M）和HER2的IC 50值分别为0.5、0.4、10和14 nM。在体内显示抗肿瘤作用。口服具有活性 |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 产品介绍 |
Afatinib (BIBW2992) is an irreversible EGFR/Neu inhibitor with an IC50 of 14 nM. Afatinib is a potent inhibitor of EGFR phosphorylation. Afatinib showed positive results in assays against a variety of human cancer cell lines, including A431, murine NIH-3T3 cells, and breast cancer cell line BT-474. Afatinib (BIBW2992) is an irreversible EGFR/Neu inhibitor with an IC50 of 14 nM. Afatinib is a potent inhibitor of EGFR phosphorylation. Afatinib showed positive results in assays against a variety of human cancer cell lines, including A431, murine NIH-3T3 cells, and breast cancer cell line BT-474. |
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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 | (E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide |
| INCHI | InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1 |
| InChi Key | ULXXDDBFHOBEHA-CWDCEQMOSA-N |
| Canonical SMILES | CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4 |
| Isomeric SMILES | CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4 |
| 分子量 | 485.94 |
| Reaxy-Rn | 29330745 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29330745&ln= |
| 分子量 | 485.900 g/mol |
|---|---|
| XLogP3 | 3.600 |
| 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 | 8 |
| 精确质量Exact Mass | 485.163 Da |
| 单同位素质量Monoisotopic Mass | 485.163 Da |
| 拓扑极表面积Topological Polar Surface Area | 88.600 Ų |
| 重原子数Heavy Atom Count | 34 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 702.000 |
| 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 | 1 |
| 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 | 1 |
| 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 | 1 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
| 象形图 | GHS06, GHS08, GHS09, GHS07 |
|---|---|
| 信号词 | Danger |
| 危险声明 |
H319: 引起严重眼睛刺激 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 H362: 可能对母乳喂养的孩子造成伤害 |
| 预防措施声明 |
P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。 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 P263: 避免在怀孕期间/哺乳期间接触。 P203: 使用前，获取、阅读并遵守所有安全说明。 P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。 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。 P337+P317: 如果眼睛刺激持续：寻求医疗帮助。 P319: 如果你感到不适，请寻求医疗帮助。 |
| Reaxy-Rn | 29330745 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29330745&ln= |
| Appearance(Colorless Transparent Liquid) | Pass |
|---|---|
| Concentration(Compounding value) | 9-11（mmol/L） |
| Record the entire process by video | Conform |
| 1. Hengju Ge, Di Zhang, Muran Shi, Xiaoyuan Lian, Zhizhen Zhang. (2021) Antiproliferative Activity and Potential Mechanism of Marine-Sourced Streptoglutarimide H against Lung Cancer Cells. Marine Drugs, 19 (2): (79). [PMID:33572615] [10.3390/md19020079] |
| 2. Yang Lehe, Lin Shichong, Kang Yanting, Xiang Youqun, Xu Lingyuan, Li Jifa, Dai Xuanxuan, Liang Guang, Huang Xiaoying, Zhao Chengguang. (2019) Rhein sensitizes human pancreatic cancer cells to EGFR inhibitors by inhibiting STAT3 pathway. JOURNAL OF EXPERIMENTAL & CLINICAL CANCER RESEARCH, 38 (1): (1-13). [PMID:30674340] [10.1186/s13046-018-1015-9] |
| 3. Qianqian Wang, Yuwei Liu, Yuanyuan Zheng, Di Chen, Ya Xie, Nian Shi. (2024) MonoTip C18 pipette tip solid-phase extraction coupled with liquid chromatography-tandem mass spectrometry enables rapid and automated therapeutic drug monitoring of tyrosine kinase inhibitors. Arabian Journal of Chemistry, 17 (105976). [10.1016/j.arabjc.2024.105976] |
| 1. Hengju Ge, Di Zhang, Muran Shi, Xiaoyuan Lian, Zhizhen Zhang. (2021) Antiproliferative Activity and Potential Mechanism of Marine-Sourced Streptoglutarimide H against Lung Cancer Cells. Marine Drugs, 19 (2): (79). [PMID:33572615] [10.3390/md19020079] |
| 2. Yang Lehe, Lin Shichong, Kang Yanting, Xiang Youqun, Xu Lingyuan, Li Jifa, Dai Xuanxuan, Liang Guang, Huang Xiaoying, Zhao Chengguang. (2019) Rhein sensitizes human pancreatic cancer cells to EGFR inhibitors by inhibiting STAT3 pathway. JOURNAL OF EXPERIMENTAL & CLINICAL CANCER RESEARCH, 38 (1): (1-13). [PMID:30674340] [10.1186/s13046-018-1015-9] |
| 3. Qianqian Wang, Yuwei Liu, Yuanyuan Zheng, Di Chen, Ya Xie, Nian Shi. (2024) MonoTip C18 pipette tip solid-phase extraction coupled with liquid chromatography-tandem mass spectrometry enables rapid and automated therapeutic drug monitoring of tyrosine kinase inhibitors. Arabian Journal of Chemistry, 17 (105976). [10.1016/j.arabjc.2024.105976] |
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