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Cotinine

CAT: 0804-HY-B1178-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-B1178-02Size:10 mM - 1 mL
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Description
Cotinine ((-) -Cotinine) is an orally active alkaloid found in tobacco and is the primary metabolite of nicotine. Cotinine is metabolized by CYP2A13 into trans-3'-hydroxycotinine. Cotinine is used as a biomarker to measure exposure to tobacco smoke components. Cotinine has vasodepressor activity. The mixture of cotinine and nicotine (Nicotine) has antiproliferative activity against pterygium. (S) - (-) -Cotinine activates nicotinic acetylcholine receptors (nAChR) in a calcium-dependent manner, leading to the release of dopamine (Dopamine, HY-B0451). Cotinine ((-) -Cotinine) is used in research related to cardiovascular and inflammatory diseases[1][2][3][4][5].
CAS Number
486-56-6
Product Name Alternative
(-) -Cotinine; (S) -Cotinine; NIH-10498
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Endogenous Metabolite; nAChR
Type
Natural Products
Related Pathways
Membrane Transporter/Ion Channel; Metabolic Enzyme/Protease; Neuronal Signaling
Field of Research
Inflammation/Immunology; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/Cotinine.html
Purity
99.98
Solubility
DMSO : 65 mg/mL (ultrasonic) |Ethanol : 120 mg/mL (ultrasonic)
Smiles
O=C1N(C)[C@H](C2=CC=CN=C2)CC1
Molecular Formula
C10H12N2O
Molecular Weight
176.22
Precautions
H302, H315, H319, H335
References & Citations
[1]Dolcini MM, et al. An assessment of the validity of adolescent self-reported smoking using three biological indicators. Nicotine Tob Res. 2003 Aug;5 (4) :473-83.|[2]Sastry BV, et al. Distribution and retention of nicotine and its metabolite, cotinine, in the rat as a function of time. Pharmacology. 1995 Feb;50 (2) :128-36.|[3]Borzelleca J F, et al. Studies on the respiratory and cardiovascular effects of (-) -cotinine[J]. Journal of Pharmacology and Experimental Therapeutics, 1962, 137 (3) : 313-318.|[4]Dwoskin L P, et al. (S) - (−) -Cotinine, the major brain metabolite of nicotine, stimulates nicotinic receptors to evoke [3H] dopamine release from rat striatal slices in a calcium-dependent manner[J]. Journal of pharmacology and experimental therapeutics, 1999, 288 (3) : 905-911.|[5]Yang Q, et al. Continuous exposure of nicotine and cotinine retards human primary pterygium cell proliferation and migration.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
Launched

Chemical Information

Cotinine

(-)-cotinine is an N-alkylpyrrolidine that consists of N-methylpyrrolidinone bearing a pyridin-3-yl substituent at position C-5 (the 5S-enantiomer). It is an alkaloid commonly found in Nicotiana tabacum. It has a role as an antidepressant, a biomarker, a plant metabolite and a human xenobiotic metabolite. It is a member of pyridines, a pyrrolidine alkaloid, a N-alkylpyrrolidine and a member of pyrrolidin-2-ones.

CAS Number486-56-6
PubChem CID854019
IUPAC Name(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
Molecular FormulaC10H12N2O
Molecular Weight176.21
XLogP-0.3
Topological Polar Surface Area33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity205
SMILES
CN1[C@@H](CCC1=O)C2=CN=CC=C2
InChI
InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1
InChIKey
UIKROCXWUNQSPJ-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of Cotinine
CAS: 486-56-6
CID: 854019
Formula: C10H12N2O
MW: 176.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.21
XLogP3-0.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass176.094963011
Monoisotopic Mass176.094963011
Topological Polar Surface Area33.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity205
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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