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TCS-21311-[d8]

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General Information
Catalog: BLP-004558
CAS: 1795025-02-3
Molecular Formula: C27H17D8F3N4O4
Molecular Weight: 534.56

Chemical Structure

Description	A deuterium labelled compound of TCS 21311. TCS 21311 is a potent JAK3 inhibitor (IC50 = 8 nM) with selectivity for JAK3 over JAK1, JAK2 and TYK2 (IC50 = 1017, 2550 and 8055 nM, respectively). It also inhibits GSK-3β, PKCα and PKCθ (IC50 = 3, 13 and 68 nM, respectively).
Synonyms	3-[5-[4-(2-Hydroxy-2-methyl-1-oxopropyl)-1-(piperazinyl-d8)]-2-(trifluoromethyl)phenyl]-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
IUPAC Name	3-(1H-indol-3-yl)-4-[5-[2,2,3,3,5,5,6,6-octadeuterio-4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]-2-(trifluoromethyl)phenyl]pyrrole-2,5-dione
Related CAS	1260181-14-3 (unlabelled)
Canonical SMILES	CC(C)(C(=O)N1CCN(CC1)C2=CC(=C(C=C2)C(F)(F)F)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54)O
InChI	InChI=1S/C27H25F3N4O4/c1-26(2,38)25(37)34-11-9-33(10-12-34)15-7-8-19(27(28,29)30)17(13-15)21-22(24(36)32-23(21)35)18-14-31-20-6-4-3-5-16(18)20/h3-8,13-14,31,38H,9-12H2,1-2H3,(H,32,35,36)/i9D2,10D2,11D2,12D2
InChI Key	CLGRAWDGLMENOD-PMCMNDOISA-N