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Regorafenib-[13C,d3]

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Regorafenib-[13C,d3]

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General Information
Catalog: BLP-005982
CAS: 2126178-55-8
Molecular Formula: C20[13C]H12D3ClF4N4O3
Molecular Weight: 486.83

Chemical Structure

Description	An isotope labelled Regorafenib. Regorafenib is a multi-kinase inhibitor which targets angiogenic, stromal and oncogenic receptor tyrosine kinase. It shows anti-angiogenic activity due to its dual targeted VEGFR2-TIE2 tyrosine kinase inhibition.
Synonyms	4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-(methyl-13C-d3)-2-pyridinecarboxamide
IUPAC Name	4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-(trideuterio(1-13C)methyl)pyridine-2-carboxamide
Related CAS	755037-03-7 (unlabelled)
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)/i1+1D3
InChI Key	FNHKPVJBJVTLMP-KQORAOOSSA-N
Purity	≥99%
Solubility	Soluble in DMF, DMSO, Ethanol
Storage	Store at-20°C