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N-methyl-N-(3R,4R)-(4-methyl-1-nitrosopiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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| Catalogue No.: | VE009895 |
|---|---|
| CAS No.: | N/A |
| Mol. Formula: | C13H18N6O |
| Mol. Weight: | 274.32 g/mol |
Additional information on N-methyl-N-(3R,4R)-(4-methyl-1-nitrosopiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Parent drug
TofacitinibIUPAC Name
N-methyl-N-(3R,4R)-(4-methyl-1-nitrosopiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-aminePharmacopoeial Synonyms
N/AOther Synonyms
N/ASmile
O=NN1C[C@H](N(C)C2=C3C(NC=C3)=NC=N2)[C@H](C)CC1InChI
InChI=1S/C13H18N6O/c1-9-4-6-19(17-20)7-11(9)18(2)13-10-3-5-14-12(10)15-8-16-13/h3,5,8-9,11H,4,6-7H2,1-2H3,(H,14,15,16)/t9-,11+/m1/s1Description
N-methyl-N-(3R,4R)-(4-methyl-1-nitrosopiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is a discrete nitrosamine impurity with molecular formula C13H18N6O and molecular weight 274.32 g/mol. The N-nitroso piperidine motif indicates likely origin from secondary amine nitrosation during synthesis, workup, or storage under nitrosating conditions. As a structural class, nitrosamines are scrutinized for potential genotoxic and mutagenic liability under ICH M7 and related risk frameworks. Trace determination typically requires orthogonal LC-MS/MS or high-resolution MS, often complemented by GC-MS after derivatization or targeted sample enrichment because of low ng-level thresholds and matrix sensitivity.Request a Quote
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