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Sorafenib-[13C,d3]

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Sorafenib-[13C,d3]

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General Information
Catalog: BLP-004262
CAS: 1210608-86-8
Molecular Formula: C20[[13C]H13D3ClF3N4O3
Molecular Weight: 468.85

Chemical Structure

Description	Sorafenib-[13C,d3] is an isotope compound of Sorafenib. Sorafenib is a multikinase inhibitor of Raf-1, B-Raf and VEGFR-2 with IC50 of 6 nM, 22 nM and 90 nM, respectively.
Synonyms	4-(4-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)-N-(methyl-13C-d3)picolinamide
IUPAC Name	4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(trideuterio(1-13C)methyl)pyridine-2-carboxamide
Related CAS	284461-73-0 (unlabelled)
Isomeric SMILES	[2H][13C]([2H])([2H])NC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
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
InChI	InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)/i1+1D3
InChI Key	MLDQJTXFUGDVEO-KQORAOOSSA-N
Purity	≥90%
Solubility	Soluble in DMSO
Appearance	White to Off-white Solid
Storage	Store at 2-8°C