CAS 86270-92-0

4-[(~2~H_3_)methyl(nitroso)amino]-1-pyridin-3-ylbutan-1-one

Description:

4-[(2H3)methyl(nitroso)amino]-1-pyridin-3-ylbutan-1-one, with the CAS number 86270-92-0, is a chemical compound that features a pyridine ring and a butanone moiety. This compound is characterized by the presence of a nitroso group and a methylamino substituent, which contribute to its potential biological activity. The molecular structure suggests that it may exhibit properties related to both nitrogen-containing functional groups and aromatic systems, which can influence its reactivity and interactions in biological systems. The presence of the nitroso group may also suggest potential applications in medicinal chemistry, particularly in the development of pharmaceuticals or as a probe in biochemical research. Additionally, the compound's stability, solubility, and reactivity can vary based on environmental conditions such as pH and temperature. As with many nitrogen-containing compounds, it may also be subject to specific safety and handling considerations due to potential toxicity or reactivity. Further studies would be necessary to fully elucidate its properties and potential applications.

Formula: C₁₀H₁₀D₃N₃O₂

InChI: InChI=1/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3/i1D3

SMILES: C(N(CCCC(=O)c1cccnc1)N=O)([2H])([2H])[2H]

4-(Methyl-d3-nitrosamino)-1-(3-pyridyl)-1-butanone

Controlled Product

CAS: 86270-92-0

Applications Labelled NNK (M325750). This compound was present in the highest concentrations in smokeless tobacco out of the nitrosamines identified. It is likely to be important in the etiology of cancers of the lung, oral cavity, and pancreas in people who use tabacco products. Readily produces cancer in rats and hamsters. Carcinogen.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Koenigs, L., et al.: Drug Metab. Dispos., 25, 1407 (1997), Gu, J., et al.: Toxicol. Appl. Pharmacol., 165, 158 (2000), Jalas, J., et al.: Chem. Res. Toxicol., 18, 95 (2005), Zhu, L., et al.: Drug Metab. Dispos., 34, 1672(2006),

Formula: C₁₀₂H₃H₁₀N₃O₂

Color and Shape: Neat

Molecular weight: 210.25

Ref: TR-M325752