Description

4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanone n-B-D-Glucuronide is a key glucuronide metabolite of the tobacco-specific nitrosamine NNK, widely used as a critical analytical reference standard in toxicology and metabolic research. Its primary value lies in enabling the precise quantification of NNK exposure and metabolic pathways, which is essential for understanding carcinogenic risk. This high-purity compound is indispensable for researchers and quality control laboratories in pharmaceutical development, public health, and analytical chemistry sectors focused on tobacco-related disease studies.

Application

• Biomarker Analysis: Used as a certified reference material for the accurate detection and quantification of NNK metabolites in biological samples (e.g., urine, blood) for exposure assessment studies.
• Toxicological Research: Serves as a critical standard in studies investigating the metabolic activation, detoxification pathways, and carcinogenic mechanisms of tobacco-specific nitrosamines.
• Method Development & Validation: Essential for developing, calibrating, and validating sensitive analytical methods such as LC-MS/MS, HPLC, and GC-MS in analytical laboratories.
• Pharmaceutical R&D: Utilized in preclinical research to study the efficacy of chemopreventive agents designed to inhibit the metabolic activation of NNK.
• Regulatory Compliance & Safety Testing: Supports compliance testing for tobacco products and research into reduced-risk products by providing a definitive metric for harmful constituent exposure.
• Clinical Studies: Employed in epidemiological and clinical trials to establish correlations between metabolite levels and disease outcomes, strengthening the evidence base for public health policies.

Basic Information

Product Name	4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanone n-B-D-Glucuronide
CAS No.	350508-26-8
Molecular Formula	C₁₇H₂₃N₃O₈
Molecular Weight	397.38 g/mol
Synonyms	NNK-N-glucuronide; NNAL-N-glucuronide; 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone O-β-D-glucuronide; NNK Glucuronide; NNAL-O-Glucuronide; (R,S)-NNAL-N-Gluc; 4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone β-D-Glucuronide
EINECS	Contact for details

Quality Control

Every batch of 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanone n-B-D-Glucuronide is manufactured and analyzed under strict quality management systems to ensure the highest standards of identity, purity, and stability required for research and analytical applications. Our products undergo rigorous quality testing, including chromatographic purity assays and structural confirmation, to ensure compliance with industry standards for reference materials. Certificates of Analysis (COA) detailing batch-specific results are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store at -20°C or below in a freezer. This product is hygroscopic (moisture-sensitive) and must be handled under anhydrous conditions to maintain stability. Allow the sealed vial to equilibrate to room temperature before opening to minimize moisture condensation.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (HPLC)	Conforms to reference standard
Identification (MS)	Conforms to structure
Purity (HPLC)	≥ 95%
Water Content (KF)	≤ 5.0%
Solubility	Soluble in methanol, DMSO; slightly soluble in water

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