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Fedratinib-[d9]

General Information
Catalog: BLP-005440
CAS: 2226875-48-3
Molecular Formula: C27H27D9N6O3S
Molecular Weight: 533.73
Chemical Structure
Fedratinib-[d9]
Description Fedratinib-[d9] is a deuterium labelled form of Fedratinib. Fedratinib is a potent and selective JAK2 inhibitor.
Synonyms 3-((5-Methyl-2-((4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)amino)pyrimidin-4-yl)amino)-N-(2-(methyl-d3)propan-2-yl-1,1,1,3,3,3-d6)benzenesulfonamide; Fedratinib D9; N-[1,1-Di(methyl-d3)ethyl-2,2,2-d3]-3-[[5-methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]amino]-4-pyrimidinyl]amino]benzenesulfonamide
IUPAC Name N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide
Related CAS 936091-26-8 (unlabelled)
Canonical SMILES [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NS(=O)(=O)C1=CC=CC(=C1)NC2=NC(=NC=C2C)NC3=CC=C(C=C3)OCCN4CCCC4
InChI InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)/i2D3,3D3,4D3
InChI Key JOOXLOJCABQBSG-WVZRYRIDSA-N
Purity >95%
Solubility Soluble in DMSO, Methanol
Appearance Solid
Storage Store at -20°C

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