Regorafenib
anti-angiogenic multi-kinase inhibitor used in the therapy of refractory metastatic colorectal cancer, hepatocellular carcinoma and gastrointestinal stromal tumor. Fluoride of Sorafenib. Inhibitor of sEH
General
Type : Urea derivative,Not A\/B H target,Trifluoro,Carboxamide,multi-kinase inhibitor
Chemical_Nomenclature : 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
Canonical SMILES : CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F
InChI : InChI=1S\/C21H15ClF4N4O3\/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)
InChIKey : FNHKPVJBJVTLMP-UHFFFAOYSA-N
Other name(s) : BAY 73-4506,Stivarga,Regorafenibum,CHEMBL1946170,CHEBI:68647,Fluoro-Sorafenib
MW : 482.82
Formula : C21H15ClF4N4O3
CAS_number : 755037-03-7
PubChem : 11167602
UniChem : FNHKPVJBJVTLMP-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Regorafenib ligand of proteins in family: Epoxide_hydrolase
Stucture :
Protein : human-EPHX2 || mouse-hyes
References (1)
| Title : Synthesis and biological evaluation of sorafenib- and regorafenib-like sEH inhibitors - Hwang_2013_Bioorg.Med.Chem.Lett_23_3732 |
| Author(s) : Hwang SH , Wecksler AT , Zhang G , Morisseau C , Nguyen LV , Fu SH , Hammock BD |
| Ref : Bioorganic & Medicinal Chemistry Lett , 23 :3732 , 2013 |
| Abstract : Hwang_2013_Bioorg.Med.Chem.Lett_23_3732 |
| ESTHER : Hwang_2013_Bioorg.Med.Chem.Lett_23_3732 |
| PubMedSearch : Hwang_2013_Bioorg.Med.Chem.Lett_23_3732 |
| PubMedID: 23726028 |