ChemicalBook--->CAS DataBase List--->113559-13-0

113559-13-0

113559-13-0 Structure

113559-13-0 Structure
IdentificationBack Directory
[Name]

E-4031
[CAS]

113559-13-0
[Synonyms]

E-4031
E4031 diHCl
E-4031 (hydrochloride)
1-(2-(6-methyl-2-pyridyl)ethyl)-4-(4-methylsulfonylaminobenzoyl)piperidined
methanesulfonamide,n-(4-((1-(2-(6-methyl-2-pyridinyl)ethyl)-4-piperidinyl)carb
Inhibitor,anti-arrhythmic,Potassium Channel,E4031,E 4031,KcsA,inhibit,E-4031,hERG
N-(4-(1-(2-(6-METHYLPYRIDIN-2-YL)ETHYL)PIPERIDINE-4-CARBONYL)PHENYL)METHANESULFONAMIDE 2HCL
N-[4-[1-[2-(6-methylpyridin-2-yl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide dihydrochloride
N-[4-[[1-[2-(6-Methyl-2-pyridinyl)ethyl]-4-piperidinyl]carbonyl]phenyl]methanesulfonamide dihydrochloride
N-[4-[1-[2-(6-Methyl-2-pyridinyl)ethyl]-4-piperidinylcarbonyl]phenyl]methanesulfonamide·2hydrochloric acid
[Molecular Formula]

C21H33Cl2N3O5S
[MDL Number]

MFCD00889193
[MOL File]

113559-13-0.mol
[Molecular Weight]

510.47
Chemical PropertiesBack Directory
[storage temp. ]

-20°C
[solubility ]

H2O: soluble
[form ]

solid
[color ]

off-white
[Water Solubility ]

H2O: soluble
[Stability:]

Hygroscopic
[InChI]

1S/C21H27N3O3S.2ClH/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27;;/h3-9,18,23H,10-15H2,1-2H3;2*1H
[InChIKey]

ZQBNWMFBOSOOLX-UHFFFAOYSA-N
[SMILES]

Cl.Cl.Cc1cccc(CCN2CCC(CC2)C(=O)c3ccc(NS(C)(=O)=O)cc3)n1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

E-4031 has been used as:
  • human ether-a-go-go-related gene (hERG) blocker in human-induced pluripotent stem cell-derived cardiomyocytes (hiPSC-CMs)
  • IKr blocker in long QT syndrome (LQTS) induced pluripotent stem (iPSCs) embryoid bodies
  • IKr blocker in rat ventricular myocytes

[Biological Activity]

Selective blocker of hERG K + channels; inhibits the rapid delayed-rectifier K + current (I Kr ). Reversibly prolongs action potential duration in guinea pig papillary muscle and isolated ventricular myocytes, without affecting Na + or Ca 2+ inward currents. Class III antiarrhythmic agent.
[Biochem/physiol Actions]

E-4031 is a antiarrhythmic drug and belongs to the class III type. It is a methanesulfonanilide compound and is effective in treating arrhythmia and modulates ventricular fibrillation. E-4031 mediates the prolongation of action potential duration (APD) in transgenic long-QT type 1 (LQT1) rabbits. An isoleucine mutation in human ether-a-go-go-related gene (hERG) abolishes its interaction with E-4031.
[storage]

Room temperature (desiccate)
Spectrum DetailBack Directory
[Spectrum Detail]

E-4031(113559-13-0)1HNMR
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