Regorafenib monohydrate

• CAT Number: I000138
• CAS Number: 1019206-88-2
• Molecular Formula: C₂₁H₁₇ClF₄N₄O₄
• Molecular Weight: 500.83
• Purity: ≥95%
• Target: c-RET
• Solubility: 10 mM in DMSO
• Storage: Store at -20°C
• IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;hydrate
• 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
• InChIKey: ZOPOQLDXFHBOIH-UHFFFAOYSA-N
• 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.O

Regorafenib Monohydrate (Cat No.: I000138) is a new oral multi-kinase inhibitor, which belongs to the multi-target tyrosine kinase inhibitor, which is mainly used for the treatment of metastatic colorectal cancer and gastrointestinal stromal tumors. IC50 for VEGFR1, mouse VEGFR2, mouse VEGFR3, PDGFR-β, Kit(c-Kit), RET(c-RET), RAF-1, B-RAF, and B-RAF(V600E) are 13,4.2, respectively, 46, 22, 7, 1.5, 2.5, 28, 19 nM.

Reference

[1]. Wilhelm SM, et al. Regorafenib (BAY 73-4506): a new oral multikinase inhibitor of angiogenic, stromal and oncogenic receptor tyrosine kinases with potent preclinical antitumor activity. Int J Cancer, 2011, 129(1), 245-255.
[2]. Heng DY, et al. Targeted therapy for metastatic renal cell carcinoma: current treatment and future directions. Ther Adv Med Oncol, 2010, 2(1), 39-49.
[3]. Carr BI, et al. Fluoro-Sorafenib (Regorafenib) effects on hepatoma cells: growth inhibition, quiescence, and recovery. J Cell Physiol, 2013, 228(2), 292-297.