Description

4-(Methyl-D3-Nitrosamino)-1-(3-Pyridyl)-1-Butanone is a deuterium-labeled isotopologue of the tobacco-specific nitrosamine NNK, a compound of significant interest in biochemical and toxicological research. This stable isotope-labeled analog is essential for use as an internal standard in mass spectrometry, enabling highly accurate quantification and metabolic profiling studies. It is primarily utilized by analytical laboratories, contract research organizations (CROs), and academic institutions conducting advanced research on carcinogenesis, drug metabolism, and environmental toxicology.

Application

• Internal Standard for LC-MS/MS: Critical for the precise and reliable quantification of NNK and its metabolites in complex biological matrices like serum, urine, and tissue homogenates.
• Metabolic Pathway Tracing: Used in in vitro and in vivo studies to elucidate the metabolic fate and activation pathways of tobacco-specific nitrosamines.
• Biomarker Research: Supports the development and validation of analytical methods for detecting exposure biomarkers related to tobacco and smokeless tobacco products.
• Pharmacokinetic/Pharmacodynamic (PK/PD) Studies: Enables accurate measurement of drug interactions and the disposition of NNK in preclinical research models.
• Quality Control in Reference Material Production: Serves as a calibrant in the manufacture and certification of certified reference materials (CRMs) for analytical laboratories.
• Environmental and Food Safety Analysis: Applied in methods to trace and quantify nitrosamine contaminants in environmental samples and certain food products.

Basic Information

Product Name	4-(Methyl-D3-Nitrosamino)-1-(3-Pyridyl)-1-Butanone
CAS No.	764661-24-7
Molecular Formula	C10H10D3N3O2
Molecular Weight	208.23 g/mol
Synonyms	NNK-d3; 4-(Methyl-d3-nitrosamino)-1-(3-pyridinyl)-1-butanone; (4-(N-Methyl-d3-N-nitrosamino)-1-(3-pyridinyl)-1-butanone); NNK Methyl-d3; 4-(N-Methyl-N-nitroso-d3-amino)-1-(3-pyridyl)-1-butanone; Deuterated NNK; 4-(Methyl-d3-nitrosamino)-1-(3-pyridyl)-butan-1-one
EINECS	Contact for details

Quality Control

Every batch of 4-(Methyl-D3-Nitrosamino)-1-(3-Pyridyl)-1-Butanone is manufactured and analyzed under strict quality systems to ensure the highest standards of isotopic purity and chemical identity required for analytical applications. Our products undergo rigorous quality testing to ensure compliance with industry standards. Comprehensive Certificates of Analysis (COA) detailing isotopic enrichment, chemical purity, and analytical method data (NMR, HPLC, MS) are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store at -20°C or below under an inert atmosphere (e.g., argon or nitrogen) to minimize oxidation and ensure long-term stability. Allow the sealed container to reach room temperature before opening to prevent moisture condensation.

Specification

Item	Specification
Appearance	White to pale yellow solid or oil
Identification (NMR)	Conforms to structure
Identification (MS)	Conforms to structure
Purity (HPLC)	≥ 98%
Isotopic Purity (deuterium, D)	≥ 98 atom % D
Chemical Purity	≥ 95%
Solubility	Soluble in common organic solvents (e.g., methanol, acetonitrile, DMSO)

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.