4-[N-(Methyl-d3)-N-nitrosamino]-4-(3-pyridyl)butanal

• CAT Number: R010101
• CAS Number: 1185039-70-6
• Molecular Formula: C10H13N3O2
• Molecular Weight: 210.251
• Purity: ≥95%
• Synonyms: γ-[(Methyl-d3)nitrosoamino]-3-pyridinebutanal; 4-[N-(Methyl-d3)-N-nitrosamino]-4-(3-pyridyl)-1-butanal; NNA-d3
• Storage: -20°C
• IUPAC Name: N-(4-oxo-1-pyridin-3-ylbutyl)-N-(trideuteriomethyl)nitrous amide
• InChI: InChI=1S/C10H13N3O2/c1-13(12-15)10(5-3-7-14)9-4-2-6-11-8-9/h2,4,6-8,10H,3,5H2,1H3/i1D3
• InChIKey: FRJHUNPWTKLYGL-FIBGUPNXSA-N
• SMILES: [2H]C([2H])([2H])N(C(CCC=O)C1=CN=CC=C1)N=O

4-[N-(Methyl-d3)-N-nitrosamino]-4-(3-pyridyl)butanal is a deuterated analog of a nitrosamine compound, where three hydrogen atoms in the methyl group are replaced with deuterium. This isotopically labeled compound is particularly useful in toxicological and biochemical research for studying the metabolism, formation, and biological effects of nitrosamines, which are known carcinogens commonly found in tobacco and some processed foods. The deuterium labeling allows for precise tracking and enhanced sensitivity in analytical techniques such as mass spectrometry, enabling detailed investigations into the compound’s metabolic pathways and its role in carcinogenesis. 4-[N-(Methyl-d3)-N-nitrosamino]-4-(3-pyridyl)butanal is a critical tool for researchers exploring the mechanisms of nitrosamine-induced cancer, providing accurate data that supports risk assessment and the development of strategies to mitigate exposure to these harmful compounds.