QX-314

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H27N2O
Molecular Weight	263.3984
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

CC[N+](CC)(CC)CC(=O)NC1=C(C)C=CC=C1C

InChI

InChIKey=PYEBKOFMWAMBFV-UHFFFAOYSA-O

InChI=1S/C16H26N2O/c1-6-18(7-2,8-3)12-15(19)17-16-13(4)10-9-11-14(16)5/h9-11H,6-8,12H2,1-5H3/p+1

HIDE SMILES / InChI

Molecular Formula	C16H27N2O
Molecular Weight	263.3984
Charge	1
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Potency
Sodium channel alpha subunits; brain (Types I, II, III) 28 Target ID: CHEMBL2096682 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2579237	Inhibitor 8297	97.0 µM [IC50]
Vanilloid receptor 53 Target ID: CHEMBL4794 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21502857	Modulator 828	8.0 µM [IC50]
Muscarinic acetylcholine receptor M1 169 Target ID: CHEMBL216 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10910501	Antagonist 2778	2.4 mM [IC50]

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:42:55 GMT 2023` Edited by `admin` on `Fri Dec 15 19:42:55 GMT 2023`
Record UNII	46ZIF6Y2X9
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

QX-314

Common Name

English

2-((2,6-DIMETHYLPHENYL)AMINO)-N,N,N-TRIETHYL-2-OXO-ETHANAMINIUM

Common Name

English

TRIETHYL((2,6-XYLYLCARBAMOYL)METHYL)AMMONIUM

Systematic Name

English

Code System Code Type Description

PUBCHEM

3925

Created by admin on Fri Dec 15 19:42:55 GMT 2023 , Edited by admin on Fri Dec 15 19:42:55 GMT 2023

PRIMARY

FDA UNII

46ZIF6Y2X9

Created by admin on Fri Dec 15 19:42:55 GMT 2023 , Edited by admin on Fri Dec 15 19:42:55 GMT 2023

PRIMARY

EPA CompTox

DTXSID10943813

Created by admin on Fri Dec 15 19:42:55 GMT 2023 , Edited by admin on Fri Dec 15 19:42:55 GMT 2023

PRIMARY

CAS

21306-56-9

Created by admin on Fri Dec 15 19:42:55 GMT 2023 , Edited by admin on Fri Dec 15 19:42:55 GMT 2023

PRIMARY

Related Record Type Details


					46ZIF6Y2X9

QX-314

IONIC MOIETY


					LGU8Z0A50H

TRANSIENT RECEPTOR POTENTIAL CATION CHANNEL SUBFAMILY V MEMBER 1

TARGET -> ACTIVATOR

Comments:

QX-314 directly activates TRPV1 and TRPA1 channels leading to a subsequent calcium influx (figs. 3A and 4A). It has been demonstrated that TRPV1-mediated calcium influx triggers apoptosis-like cascade leading to cell death.

Amount:


					F7JT1Z4UMI

TRANSIENT RECEPTOR POTENTIAL CATION CHANNEL SUBFAMILY A MEMBER 1

TARGET -> ACTIVATOR

Amount:


					3OYF1S84EN

QX-314 BROMIDE

SALT/SOLVATE -> PARENT

Related Record Type Details


					46ZIF6Y2X9

QX-314

ACTIVE MOIETY