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Includes: HPLC, MASS/LC-MS, 1H NMR, FT-IR, Potency, Structure Elucidation Report (SER), and additional analytical data depending on the product.

N-Nitroso Desethyl Abemaciclib

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Catalogue No.:	VE0028284
CAS No.:	N/A
Mol. Formula:	C25H27F2N9O
Mol. Weight:	507.54 g/mol

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Additional information on

Parent drug

Abemaciclib

IUPAC Name

5-fluoro-4-(7-fluoro-3- isopropyl-2-methyl-benzimidazol-5-yl)-N- [5-[(4-nitrosopiperazin-1-yl)methyl]-2- pyridyl]pyrimidin-2-amine

Pharmacopeial Synonyms

N/A

Synonyms

N/A

Smiles

O=NN1CCN(CC2=CC=C(NC3=NC=C(F)C(C4=CC(F)=C5C(N(C(C)C)C(C)=N5)=C4)=N3)N=C2)CC1

InChI

InChI=1S/C25H27F2N9O/c1-15(2)36-16(3)30-24-19(26)10-18(11-21(24)36)23-20(27)13-29-25(32-23)31-22-5-4-17(12-28-22)14-34-6-8-35(33-37)9-7-34/h4-5,10-13,15H,6-9,14H2,1-3H3,(H,28,29,31,32)

Description

N-Nitroso Desethyl Abemaciclib is a nitrosamine impurity associated with the abemaciclib scaffold, arising plausibly from nitrosating conditions acting on the desethyl amine precursor during synthesis or storage. With molecular formula C25H27F2N9O and molecular weight 507.54 g/mol, it contains the N-nitroso motif that warrants toxicological scrutiny because structurally related nitrosamines are commonly managed as potential genotoxic impurities under ICH M7 principles. Trace-level characterization typically relies on LC-MS/MS with accurate-mass confirmation, often supported by LC-HRMS and, where volatile behavior permits, GC-MS. Its structural assignment should consider tautomeric and ionization effects that influence chromatographic retention and MS response.