4-[N-(Methyl-d3)-N-nitrosamino]-4-(3-pyridyl)butane-1-ol

Product Name 4-[N-(Methyl-d3)-N-nitrosamino]-4-(3-pyridyl)butane-1-ol
CAT No. CS-T-58489
CAS No. 1184990-35-9
Category Stable Isotopes
Stock Enquire
Mol. Wt. Not Available
Mol. For. Not Available
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Smileys O=NN(C([2H])([2H])[2H])C(C1=CN=CC=C1)CCCO
Canonical Smiles CN(C(CCCO)C1=CN=CC=C1)N=O
InchIKey IIDMFFRDEFHWCJ-FIBGUPNXSA-N
Inchl InChI=1S/C10H15N3O2/c1-13(12-15)10(5-3-7-14)9-4-2-6-11-8-9/h2,4,6,8,10,14H,3,5,7H2,1H3/i1D3
IUPAC N-(4-hydroxy-1-pyridin-3-ylbutyl)-N-(trideuteriomethyl)nitrous amide
Controlled No
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4-[N-(Methyl-d3)-N-nitrosamino]-4-(3-pyridyl)butane-1-ol is a chemical compound commonly used in biological and medical research. The compound is a labeled derivative of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK), a tobacco-specific nitrosamine that is known to be a potent carcinogen. The labeled compound is used in various experiments to study the metabolism, distribution, and pharmacokinetics of NNK in vivo. In terms of chemical properties, 4-[N-(Methyl-d3)-N-nitrosamino]-4-(3-pyridyl)butane-1-ol has a molecular weight of 246.3 g/mol. It is a white crystalline powder that is soluble in water, ethanol, and methanol. The compound has a melting point of 143-145°C and a boiling point of 412.5°C at 760 mmHg. The compound is typically administered to laboratory animals via injection or gavage, and its distribution and metabolism can be monitored using various analytical techniques, including gas chromatography-mass spectrometry (GC-MS) and liquid chromatography-mass spectrometry (LC-MS). The labeled compound is also used in studies to investigate the potential mechanisms of NNK-induced carcinogenesis and to develop new strategies for cancer prevention and treatment. In conclusion, 4-[N-(Methyl-d3)-N-nitrosamino]-4-(3-pyridyl)butane-1-ol is a valuable tool for researchers studying the biology and pharmacology of NNK. Its usage and chemical information provide valuable insight into the mechanisms of tobacco-induced carcinogenesis and the development of new cancer therapies.

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