| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1019206-88-2 |
| Catalog No. | 2A-1172383 |
| Chinese Name | 瑞格非尼水合物 |
| Synonyms | MGN125FS9D; regorafenib monohydrate; Regorafenib (monohydrate); Regorafenib hydrate [JAN]; UNII-MGN125FS9D; Stivarga; regorafenib hydrate; Stivarga (TN) |
| Molecular Formula | C21H17ClF4N4O4 |
| Molecular Weight | 500.831 |
| Appearance | powder |
| Storage Condition | -20℃ |
| Application | Regorafenib monohydrate is a multi-target inhibitor with IC50s of 13 nM, 4.2 nM, 46 nM, 22 nM, 7 nM, 1.5 nM and 2.5 nM for VEGFR1/2/3, PDGFRβ, Kit, RET and Raf-1 respectively. |
| PubChem ID | 49689907 |
| SMILES | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1.O |
| InChI | InChI=1S/C21H15ClF4N4O3.H2O/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26;/h2-10H,1H3,(H,27,31)(H2,29,30,32);1H2 |
| InChI Key | ZOPOQLDXFHBOIH-UHFFFAOYSA-N |
| Transport Info | Product name: Regorafenib (BAY-734506) monohydrate |
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