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Chemical structure of Regorafenib

GC10111

Regorafenib

Also known as 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide

Regorafenib is an orally active multi-kinase inhibitor with IC50 values of 13/4·2/46, 22, 7, 1·5 and 2·5nM for VEGFR1/2/3, PDGFRβ, Kit, RET and Raf-1, respectively

ChemicalCAS755037-03-7MW482.82FormulaC21H15ClF4N4O3
CAS number
755037-03-7
Molecular weight
482.82
Formula
C21H15ClF4N4O3
Solubility
≥ 25·0415mg/mL in DMSO, ≥ 6·25 mg/mL in EtOH with ultrasonic,insoluble in Water
InChIKey
FNHKPVJBJVTLMP-UHFFFAOYSA-N
Catalogue number
GC10111
Brand
GLPBIO
Computed properties PubChem CID 11167602 · XLogP 4.2 · TPSA 92.4 Ų · H-bond donors 3
XLogP
4.2
TPSA
92.4 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
33

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

Computed descriptors from PubChem (CID 11167602), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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