E4031 HCl
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MedKoo CAT#: 531769

CAS#: 113559-13-0 (2HCl)

Description: E4031 selectively blocks hERG K+ channels. E4031 inhibits the rapid delayed-rectifier K+ current (IKr) and reversibly prolongs action potential duration in guinea pig papillary muscle and isolated ventricular myocytes, without affecting Na+ or Ca2+ inward currents. E4031 is a class III antiarrhythmic agent.


Chemical Structure

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E4031 HCl
CAS# 113559-13-0 (2HCl)

Theoretical Analysis

MedKoo Cat#: 531769
Name: E4031 HCl
CAS#: 113559-13-0 (2HCl)
Chemical Formula: C21H29Cl2N3O3S
Exact Mass: 401.1773
Molecular Weight: 474.44
Elemental Analysis: C, 53.16; H, 6.16; Cl, 14.94; N, 8.86; O, 10.12; S, 6.76

Price and Availability

Size Price Availability Quantity
50.0mg USD 250.0 2 weeks
100.0mg USD 450.0 2 weeks
200.0mg USD 750.0 2 weeks
500.0mg USD 1650.0 2 weeks
1.0g USD 2750.0 2 weeks
2.0g USD 3950.0 2 weeks
5.0g USD 6950.0 2 weeks
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Related CAS #: 113558-89-7 (free base)   113559-13-0 (2HCl)  

Synonym: E4031; E-4031; E 4031; E4031 HCl; E4031 hydrochloride

IUPAC/Chemical Name: N-[4-[1-[2-(6-methylpyridin-2-yl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide dihydrochloride

InChi Key: ZQBNWMFBOSOOLX-UHFFFAOYSA-N

InChi Code: 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

SMILES Code: CS(=O)(NC1=CC=C(C(C2CCN(CCC3=NC(C)=CC=C3)CC2)=O)C=C1)=O.[H]Cl.[H]Cl

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 474.44 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Chan AP, Leung MW, So PP, Guppy LJ, Walker MJ. Effects of E4031 and quinidine on atrial and ventricular refractoriness in rabbits in vivo. Proc West Pharmacol Soc. 2004;47:39-41. PubMed PMID: 15633608.

2: Webster R, Allan G, Anto-Awuakye K, Harrison A, Kidd T, Leishman D, Phipps J, Walker D. Pharmacokinetic/pharmacodynamic assessment of the effects of E4031, cisapride, terfenadine and terodiline on monophasic action potential duration in dog. Xenobiotica. 2001 Aug-Sep;31(8-9):633-50. PubMed PMID: 11569530.

3: Shiroshita-Takeshita A, Mitamura H, Sato T, Shinagawa K, Kurita Y, Kanki H, Takatsuki S, Hara M, Ogawa S. Preserved effects of potassium channel blockers in the pacing-induced remodeled canine atrium: a comparison between E4031 and azimilide. J Cardiovasc Pharmacol. 2003 May;41(5):678-85. PubMed PMID: 12717097.