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2411540-30-0Upadacitinib N1-Tosyl Impurity

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Catalogue No.:	VE0027859
CAS No.:	2411540-30-0
Mol. Formula:	C24H25F3N6O3S
Mol. Weight:	534.55 g/mol

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Additional information on CAS 2411540-30-0

Parent drug

Upadacitinib

IUPAC Name

(3S,4R)-3-Ethyl-4-(3-tosyl-3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

Pharmacopeial Synonyms

N/A

Synonyms

N/A

Smiles

O=C(N1C[C@@H](CC)[C@@H](C2=CN=C3C=NC(N(S(=O)(C4=CC=C(C)C=C4)=O)C=C5)=C5N32)C1)NCC(F)(F)F

InChI

InChI=1S/C24H25F3N6O3S/c1-3-16-12-31(23(34)30-14-24(25,26)27)13-18(16)20-10-28-21-11-29-22-19(33(20)21)8-9-32(22)37(35,36)17-6-4-15(2)5-7-17/h4-11,16,18H,3,12-14H2,1-2H3,(H,30,34)/t16-,18+/m1/s1

Description

Upadacitinib N1-Tosyl Impurity (CAS 2411540-30-0) is a defined process-related impurity associated with N-sulfonylation at the pyrrolidine nitrogen of the JAK1 inhibitor scaffold. With molecular formula C24H25F3N6O3S and molecular weight 534.55 g/mol, it represents a structurally specific synthetic byproduct rather than a simple degradant. The aromatic tosyl substituent alters polarity and ionization behavior, so characterization typically requires LC-MS/MS with high-resolution MS confirmation, complemented by HPLC-UV and, where needed, NMR. Its control is relevant to impurity profiling under ICH Q3A/Q3B principles and, if carried through synthesis, may warrant evaluation within broader genotoxic impurity assessment frameworks.