3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one

3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one Basic information
Product Name:3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one
Synonyms:3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one;Hydroxycotinine;(3R,5S)-1-Methyl-3-hydroxy-5-(3-pyridyl)pyrrolidine-2-one;(3R,5S)-3-Hydroxy-1-methyl-5-(3-pyridinyl)pyrrolidin-2-one;(3'R,5'S)-trans-3'-Hydroxynicotinine;3-Hydroxy-1-methyl-5-(3-pyridinyl)-2-pyrrolidinone;Ccris 7628;(3R,5S)-3-Hydroxy-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone
CAS:34834-67-8
MF:C10H12N2O2
MW:192.21
EINECS:
Product Categories:Chiral Reagents, Heterocycles, Metabolites & Impurities, Nicotine Derivatives, Mutagenesis Research Chemicals;Chiral Reagents;Heterocycles;Metabolites & Impurities;Mutagenesis Research Chemicals;Nicotine Derivatives
Mol File:34834-67-8.mol
3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one Structure
3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one Chemical Properties
Melting point 107-109°C
Boiling point 416.5±45.0 °C(Predicted)
density 1.275±0.06 g/cm3(Predicted)
Fp 9℃
storage temp. Hygroscopic, -20°C Freezer, Under Inert Atmosphere
solubility DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml; PBS (pH 7.2): 10 mg/ml
form A crystalline solid
pka13.02±0.40(Predicted)
Safety Information
Hazard Codes F,T
Risk Statements 11-23/24/25-39/23/24/25
Safety Statements 16-36/37-45
RIDADR UN1230 - class 3 - PG 2 - Methanol, solution
WGK Germany 1
MSDS Information
3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one Usage And Synthesis
Descriptiontrans-3’-Hydroxycotinine (3HC) is a product of CYP2A6 metabolism of the primary nicotine metabolite, cotinine . Cotinine has a longer metabolic half-life compared to 3HC (16 hours vs. 5 hours). The ratio of 3HC to cotinine, termed the nicotine metabolite ratio, correlates with nicotine clearance from the body and is used as a biomarker of CYP2A6 activity. This measure of nicotine metabolism has been used to study tobacco and secondhand smoke exposure as well as to develop pharmacological intervention strategies for smoking cessation.
Chemical PropertiesOff-White to Pale-Yellow Solid
UsesA metabolite of Nicotine. Carcinogen.
Usestrans-3''-Hydroxy Cotinine is a metabolite of Nicotine (N412450, (S)-(-)-Nicotine).
DefinitionChEBI: An N-alkylpyrrolidine that is cotinine substituted at position C-3 by a hydroxy group (the 3R,5S-diastereomer).
General DescriptionTrans-3′-Hydroxycotinine is a major nicotine metabolite excreted in the urine of smokers and users of other tobacco or nicotine products including cigars, chewing tobacco and snuff. This Certified Spiking Solution? is suitable for use in nicotine testing methods or clinical and diagnostic testing of nicotine biomarkers by LC-MS/MS or GC/MS.
3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one Preparation Products And Raw materials
Sulfanilamide

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