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| Product Name | E-4031 |
| Description |
Herg channel blocker |
| Purity | >98% (TLC: CH2Cl2/CH3OH; 9:1 with 1% NH4OH; Silica gel 60; Rf=0.39); NMR conforms |
| CAS No. | 113558-89-7 |
| Molecular Formula | C₂₁H₂₇N₃O₃S · 2HCl · 2H₂O |
| Molecular Weight | 510.5 |
| Field of Use | Not for use in humans. Not for use in diagnostics or therapeutics. For in vitro research use only. |
Properties
| Storage Temperature | -20ºC |
| Shipping Temperature | Shipped Ambient |
| Product Type | Inhibitor |
| Solubility | Soluble in water (100 mg/ml) and warm DMSO (25 mg/ml) |
| Source | Synthetic |
| Appearance | White solid |
| SMILES | CC1=NC(=CC=C1)CCN2CCC(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C.O.O.Cl.Cl |
| InChI | InChI=1S/C21H27N3O3S.2ClH.2H2O/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;2*1H2 |
| InChIKey | AJNFQUKPBCGJKX-UHFFFAOYSA-N |
| Safety Phrases |
Classification: Caution: Substance not yet fully tested. Safety Phrases: S22 - Do not breathe dust S24/25 - Avoid contact with skin and eyes S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection Hazard Phrases: H302-H315-H317-H318-H335 Precautionary Phrases: P261-P280-P305 + P351 + P338 |
| Cite This Product | E-4031 (StressMarq Biosciences Inc., Victoria BC CANADA, Catalog # SIH-317) |
Biological Description
| Alternative Names | N-[4-[[1-[2-(6-Methyl-2-pyridinyl)ethyl]-4-piperidinyl]carbonyl]phenyl]methanesulfonamide dihydrochloride, dihydrate |
| Research Areas | Ion Channels, Neuroscience |
| PubChem ID | 5312116 |
| Scientific Background | E-4031 acts on a specific class of voltage gated potassium channels, the hERG channels. It does this by binding to the open channels, although its structural target is unclear (1-4). It is also an anti-arrhythmic drug (5). |
| References |
1. Gerlach A.C., Stoehr S.J., Castle N.A. (2010) Mol Pharmacol. 77(1): 56-68. 2. Perrin M.J., et al. (2008) Prog Biophys Mol Biol. 98: 137-148. 3. Sanguinetti M.C., Jurkiewicz N.K. (1990) J Gen Physiol. 96: 195-215. 4. Spector P.S., Curran M.E., Keating M.T., and Sanguinetti M.C. (1996) Circ Res. 78: 499-503. 5. Miyake K., et al. (1990) J Med Chem. 33: 903. |
Product Images
Chemical structure of E-4031 (SIH-317), a Herg channel blocker. CAS #: 113558-89-7. Molecular Formula: C₂₁H₂₇N₃O₃S · 2HCl · 2H₂O. Molecular Weight: 510.5 g/mol.
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Based on validation through cited publications.