NICOTYRINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H10N2
Molecular Weight	158.1998
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1C=CC=C1C2=CC=CN=C2

InChI

InChIKey=RYFOJXFXERAMLS-UHFFFAOYSA-N

InChI=1S/C10H10N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2-8H,1H3

HIDE SMILES / InChI

Molecular Formula	C10H10N2
Molecular Weight	158.1998
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.thevespiary.org/library/Files_Uploaded_by_Users/hex/Nicotine.pdf | https://www.ncbi.nlm.nih.gov/pubmed/22486895 | https://www.ncbi.nlm.nih.gov/pubmed/14757175

1-methyl-4-(3-pyridinyl) pyrrole (β-nicotyrine) is a tobacco alkaloid. It is a potent inhibitor of cytochrome P450 CYP2A13 and a mechanism-based inactivator of cytochrome P450 CYP2A6.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Cytochrome P450 2A13 3 Target ID: CHEMBL3542436 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22486895	Inhibitor 8297		0.17 µM [Ki]
Cytochrome P450 2A6 16 Target ID: CHEMBL5282 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22486895 \| https://www.ncbi.nlm.nih.gov/pubmed/14757175	Inhibitor 8297		0.37 µM [Ki]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

PubMed

Title	Date	PubMed
Studies on the in vivo biotransformation of the tobacco alkaloid beta-nicotyrine.	2000 May	10813649

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:09:02 UTC 2023` Edited by `admin` on `Fri Dec 15 18:09:02 UTC 2023`
Record UNII	XN4R1LH79Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NICOTYRINE

Common Name

English

3-(1-METHYL-1H-PYRROL-2-YL)PYRIDINE

Systematic Name

English

NICOTINE RELATED COMPOUND B [USP IMPURITY]

Common Name

English

.BETA.-NICOTYRINE

Common Name

English

NICOTINE RELATED COMPOUND B [USP-RS]

Common Name

English

3,2'-NICOTYRINE

Common Name

English

NICOTINE IMPURITY B [EP IMPURITY]

Common Name

English

BETA-NICOTYRINE

Common Name

English

NSC-407276

Code

English

NICOTINE DITARTRATE DIHYDRATE IMPURITY B [EP IMPURITY]

Common Name

English

PYRIDINE, 3-(1-METHYL-1H-PYRROL-2-YL)-

Systematic Name

English

NICOTINE RESINATE IMPURITY B [EP IMPURITY]

Common Name

English

NSC-127943

Code

English

Code System Code Type Description

ECHA (EC/EINECS)

207-651-1