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017226 4-(Methylnitrosamino)-1-(3-pyridyl-d4)-1-butanone (NNK-d4) CAS: 764661-24-7

Specifications
References
CAS Number
764661-24-7
Grade
Highly Purified
Molecular Formula
C₁₀H₉D₄N₃O₂
Molecular Weight
211.25
EU Commodity Code
38220090
Shipping Temp
Blue Ice
Storage Temp
-20°C
4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl-d4)-1-butanone; NNK-d4

Labeled NNK. 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.

Synonyms
4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl-d4)-1-butanone; NNK-d4
CAS No
764661-24-7 Unlabeled: 64091-91-4
Molecular Formula
C₁₀H₉D₄N₃O₂
Molecular Weight
211.25
Purity (HPLC, Isotopic)
≥95%
Appearance
Off-white to light brown solid
Melting Point
As reported
Solubility
Chloroform (Slightly), Methanol (Slightly)
Method for Determining Identity
Proton NMR Spectroscopic and Mass Spectrometric Analysis
TLC Conditions
SiO2; Dichloromethane : Methanol = 9 : 1; Visualized with UV and AMCS; Single Spot, Rf = 0.25
Elemental Analysis
Calculated: %C: 56.85, %H: 6.21 %N: 19.89
Normalized Intensity
As reported
Storage and Stability
Store at -20°C. Stable for 6 months after receipt. For maximum recovery of product, centrifuge the original vial prior to removing the cap.
Important Note
This product as supplied is intended for research use only, not for use in human, therapeutic or diagnostic applications without the expressed written authorization of United States Biological.
Toxicity and Hazards
 All products should be handled by qualified personnel only, trained in laboratory procedures.
References
1. Koenigs, L., et al.: Drug Metab. Dispos., 25, 1407 (1997), 2. Gu, J., et al.: Toxicol. Appl. Pharmacol., 165, 158 (2000), 3. Jalas, J., et al.: Chem. Res. Toxicol., 18, 95 (2005), 4. Zhu, L., et al.: Drug Metab. Dispos., 34, 1672 (2006),
USBio References
No references available
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