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