641571-15-5Nilotinib Regio Isomer Impurity

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Catalogue No.:	VE006282
CAS No.:	641571-15-5
Mol. Formula:	C28H22F3N7O
Mol. Weight:	529.52 g/mol

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Additional information on CAS 641571-15-5

Parent drug

Nilotinib

IUPAC Name

4-Methyl-N-(3-(5-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzamide

Synonyms

Nilotinib Impurity H; 4-Methyl-N-(3-(5-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzamide

Smiles

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=NC=C3C)NC4=NC=CC(=N4)C5=CN=CC=C5

Description

Nilotinib EP Impurity H, also designated Nilotinib Regio Isomer Impurity, is a positional isomer of the pyrimidyl-substituted kinase inhibitor nilotinib, associated with alternative arylation or cyclization pathways during synthetic manufacture. It is not a simple degradant but a structurally related process impurity requiring orthogonal identification. CAS 641571-15-5 corresponds to C28H22F3N7O, molecular weight 529.52 g/mol. Because regioisomeric impurities may co-elute with the parent in conventional HPLC, characterization commonly relies on LC-MS/MS, high-resolution MS, and NMR confirmation. Its presence is controlled under impurity specification frameworks, with attention to assignment, reporting thresholds, and potential toxicological qualification.

References

Kondra, S. B., et al. “A Validated Stability-Indicative UPLC Method for Nilotinib Hydrochloride for the Determination of Process-Related and Degradation Impurities.” Journal of Chromatographic Science, vol. 52, no. 8, Sept. 2013, pp. 880–85, https://doi.org/10.1093/chromsci/bmt134 Hughes, Timothy, et al. “Impact of Baseline BCR-ABL Mutations on Response to Nilotinib in Patients with Chronic Myeloid Leukemia in Chronic Phase.” Journal of Clinical Oncology, vol. 27, no. 25, Sept. 2009, pp. 4204–10