4-[4-[[[[4-Chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-2-pyridinecarboxamide 4-[4-[[[4-氯-3-(三氟甲基)苯基]氨基甲酰]氨基]-3-氟苯氧基]-N-甲基吡啶-2-甲酰胺
CAS 755037-03-7 MFCD16038047
化学结构图
SMILES: c1nc2nc(Nc3ccc(N4CCOCC4)cc3)nc(NC3CCCCC3)c2[nH]1
化学属性
| Melting Point | 204-206 |
|---|---|
| Mol. Formula | C21H15ClF4N4O3 |
| Mol. Weight | 482.81541 |
| Appearance | Off-white to light pink solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Synonym | BAY 73-4506 BAY 734506; BAY734506; BAY-734506; Regorafenib. trade name: Stivarga. |
|---|---|
| Chemical Name Translation | 4-[4-[[[4-氯-3-(三氟甲基)苯基]氨基甲酰]氨基]-3-氟苯氧基]-N-甲基吡啶-2-甲酰胺 |
| Reaxys-RN | 14359949 |
| MDL Number | MFCD16038047 |
| PubChem Substance ID | 354334233 |
| Chemical Name | 4-[4-[[[[4-Chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-2-pyridinecarboxamide |
| Formula | C21H15ClF4N4O3 |
| IUPAC Name | 4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)-3-fluorophenoxy)-N-methylpicolinamide |
| InChIKey | ZFLJHSQHILSNCM-UHFFFAOYSA-N |
| InChI | InChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27) |
| Canonical SMILES | C12=NC(NC3=CC=C(N4CCOCC4)C=C3)=NC(NC5CCCCC5)=C1NC=N2 |
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产品应用
- Regorafenib, also known as BAY 73-4506 ; is a n orally bioavailable small molecule with potential antiangiogenic and antineoplastic activities. Regorafenib binds to and inhibits vascular endothelial growth factor receptors (VEGFRs) 2 and 3, and Ret, Kit, PDGFR and Raf kinases, which may result in the inhibition of tumor angiogenesis and tumor cell proliferation. Regorafenib demonstrated to increase the overall survival of patients with metastatic colorectal cancer and has been approved by the US FDA on September 27, 2012.
安全信息
GHS Symbol
- P201 Obtain special instructions before use. 使用前获取专门指示。
- P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
- P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- P301+P312+P330
- P305+P351+P338
- P308+P313
- P405 Store locked up. 上锁保管。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- H302 Harmful if swallowed 吞食有害
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