4-(Methylnitrosamino-d3)-4-(3-pyridyl)butyric Acid

• CAT Number: R012189
• CAS Number: 1330277-38-7
• Molecular Formula: C10H13N3O3
• Molecular Weight: 226.25
• Purity: ≥95%
• Synonyms: Iso-NNAC-d3; γ-[(Methyl-d3)nitrosoamino]-3-pyridinebutanoic Acid
• Storage: store at -20℃
• IUPAC Name: 4-[nitroso(trideuteriomethyl)amino]-4-pyridin-3-ylbutanoic acid
• InChI: InChI=1S/C10H13N3O3/c1-13(12-16)9(4-5-10(14)15)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3,(H,14,15)/i1D3
• InChIKey: NZSNJPDBPMIBSP-FIBGUPNXSA-N
• SMILES: CN(C(CCC(=O)O)C1=CN=CC=C1)N=O

4-(Methylnitrosamino-d3)-4-(3-pyridyl)butyric Acid (Cat No.: R012189) is a deuterated analog of a key metabolite of the tobacco-specific nitrosamine 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK). This isotopically labeled compound, featuring three deuterium atoms, is essential for advanced pharmacokinetic studies, including the investigation of tobacco carcinogen metabolism and the role of nitrosamines in cancer development. It is widely used in cancer research, providing a valuable tool for studying the biological fate and biomarker identification of tobacco-related carcinogens.