CAS 494-04-2|Nicotelline

Introduction：Basic information about CAS 494-04-2|Nicotelline, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Nicotelline BiologicalActivity
3. Chemical & Physical Properties
4. Synonyms

Common Name	Nicotelline
CAS Number	494-04-2	Molecular Weight	233.27
Density	1.168 g/cm3	Boiling Point	416.8ºC at 760 mmHg
Molecular Formula	C₁₅H₁₁N₃	Melting Point	147-149ºC
MSDS	/	Flash Point	190.9ºC

Names

Name	Nicotelline
Synonym	More Synonyms

Nicotelline BiologicalActivity

Description	Nicotelline (Nicotellin) is a nicotine-related alkaloid, as well as a weak inhibitor of human cDNA-expressed cytochrome P-450 2A6 (CYP2A6). CYP2A6 mediates coumarin 7-hydroxylation, while Nicotelline fails to exhibit inhibition at 300 μM. Nicotelline can be used as a tracer and biomarker of particulate matter (PM) derived from tobacco smoke[1][2].
Related Catalog	Signaling Pathways >>Metabolic Enzyme/Protease >>Cytochrome P450Research Areas >>Neurological Disease
Target	CYP26:≥300 μM (Ki)
References	[1]. Denton TT, et al. Nicotine-related alkaloids and metabolites as inhibitors of human cytochrome P-450 2A6. Biochem Pharmacol. 2004 Feb 15;67(4):751-6. [2]. Jacob P 3rd, et al. Nicotelline: a proposed biomarker and environmental tracer for particulate matter derived from tobacco smoke. Chem Res Toxicol. 2013 Nov 18;26(11):1615-31.

Chemical & Physical Properties

Density	1.168 g/cm3
Boiling Point	416.8ºC at 760 mmHg
Melting Point	147-149ºC
Molecular Formula	C₁₅H₁₁N₃
Molecular Weight	233.27
Flash Point	190.9ºC
Exact Mass	235.11100
PSA	37.81000
LogP	2.97270
Vapour Pressure	9.02E-07mmHg at 25°C
Index of Refraction	1.615
InChIKey	OILSPHJMIPYURT-UHFFFAOYSA-N
SMILES	c1cncc(-c2ccnc(-c3cccnc3)c2)c1
Storage condition	-20°C

Synonyms

2,4-dipyridin-3-ylpyridine

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