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HomeProduct name list3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one

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

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

What is 3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one?

Description

trans-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 properties

Off-White to Pale-Yellow Solid

The Uses of 3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one

A metabolite of Nicotine. Carcinogen.

The Uses of 3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one

trans-3''-Hydroxy Cotinine is a metabolite of Nicotine (N412450, (S)-(-)-Nicotine).

What are the applications of Application

trans-3′-Hydroxycotinine is a metabolite of nicotine and a carcinogen

Definition

ChEBI: An N-alkylpyrrolidine that is cotinine substituted at position C-3 by a hydroxy group (the 3R,5S-diastereomer).

General Description

Trans-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.

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

Melting point: 107-109°C
Boiling point: 416.5±45.0 °C(Predicted)
Density  1.275±0.06 g/cm3(Predicted)
Flash point: 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
pka 13.02±0.40(Predicted)
color  White to off-white

Safety information for 3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one

Signal word Danger
Pictogram(s)
ghs
Flame
Flammables
GHS02
ghs
Skull and Crossbones
Acute Toxicity
GHS06
ghs
Health Hazard
GHS08
GHS Hazard Statements H225:Flammable liquids
H370:Specific target organ toxicity, single exposure
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P311:Call a POISON CENTER or doctor/physician.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

Computed Descriptors for 3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one

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