MedKoo Cat#: 531769 | Name: E4031 HCl
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

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

E4031 HCl
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: 0.0000

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
50mg USD 250.00 2 Weeks
100mg USD 450.00 2 Weeks
200mg USD 750.00 2 Weeks
500mg USD 1,650.00 2 Weeks
1g USD 2,750.00 2 Weeks
2g USD 3,950.00 2 Weeks
5g USD 6,950.00 2 Weeks
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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
More Info

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
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.