4-(Methylnitrosamino)-4-(3-pyridyl)butyric acid

CAS: 123743-84-0

Ref. 3D-FM25900

Product Information

• Name: 4-(Methylnitrosamino)-4-(3-pyridyl)butyric acid
• Synonyms: Iso-NNACgamma-(Methylnitrosoamino)-3-pyridinebutanoic acid, Ccris 3683, gamma-(Methylnitrosoamino)-3-pyridinebutanoic acid, 3-Pyridinebutanoic acid, gamma-(methylnitrosoamino)-, 4-[Methyl(Nitroso)Amino]-4-(Pyridin-3-Yl)Butanoic Acid

Description

4-(Methylnitrosamino)-4-(3-pyridyl)butyric acid (NNK) is an organic compound that occurs as a byproduct of tobacco smoke. It is used in the preparation of some pesticides and herbicides, and is also used in the manufacture of dyes. NNK is a potent carcinogen that causes lung tumors in rats. It has been shown to covalently bind to DNA, forming adducts with guanine bases. These adducts are more stable than other nitrosamines and can be detected in urine samples. The binding of NNK to DNA may be due to its ability to form covalent bonds with guanine bases. Due to this property, NNK has been found in human urine samples and there has been some evidence linking it with cancer in humans.

• Brand: Biosynth

Chemical properties

• Molecular weight: 223.23 g/mol
• Formula: C₁₀H₁₃N₃O₃
• Purity: Min. 95%
• 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)
• InChI key: InChIKey=NZSNJPDBPMIBSP-UHFFFAOYSA-N
• SMILES: CN(N=O)C(CCC(=O)O)c1cccnc1