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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.

6-((5-Fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)pyrimidin-2-yl)amino)nicotinic Acid

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Catalogue No.:	VZA000033
CAS No.:	N/A
Mol. Formula:	C21H18F2N6O2
Mol. Weight:	424.411000 g/mol

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Additional information on

Parent drug

Abemaciclib

IUPAC Name

6-((5-Fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)pyrimidin-2-yl)amino)nicotinic Acid

Smiles

Cc1nc2c(F)cc(-c3nc(Nc4ccc(C(=O)O)cn4)ncc3F)cc2n1C(C)C

InChI

InChI=1S/C21H18F2N6O2/c1-10(2)29-11(3)26-19-14(22)6-13(7-16(19)29)18-15(23)9-25-21(28-18)27-17-5-4-12(8-24-17)20(30)31/h4-10H,1-3H3,(H,30,31)(H,24,25,27,28)

Description

6-((5-Fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)pyrimidin-2-yl)amino)nicotinic Acid is a heteroaromatic carboxylic acid impurity related to a fluorinated benzimidazole pyrimidine scaffold. With molecular formula C21H18F2N6O2 and molecular weight 424.411 g/mol, it is consistent with an advanced synthetic intermediate or process-related byproduct arising from incomplete coupling, regioisomeric substitution, or hydrolytic side reactions during assembly of the aminonicotinic acid fragment. Structural elucidation typically requires high-resolution LC-MS, LC-MS/MS fragment mapping, and orthogonal NMR characterization, with UV-diode array support. Its presence should be assessed within impurity control strategies aligned to ICH Q3A and, if applicable, ICH M7 considerations for structurally alert heteroaromatic impurities.