| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
The primary targets are atrial ion channels: Kv1.5 (IKur, IC50 approximately 13.8 μM), K2P2.1 (TREK-1, IC50 13.3 μM), and the cardiac sodium channel Nav1.5 (IC50 approximately 14 μM for late sodium current), with additional effects on Ito and IKr; vernakalant is atrial-selective, with minimal effects on ventricular repolarization at therapeutic concentrations.
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| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
Vernakalant-d6 HCl retains the ion channel blocking profile of the unlabeled compound, with IC50 values in the low-micromolar range for Kv1.5 (13.8 μM), K2P2.1 (13.3 μM), and Nav1.5 (14 μM for late current); it prolongs atrial action potential duration and refractoriness, and the d6 standard is used to quantify vernakalant in electrophysiological and receptor-binding assays. |
| ln Vivo |
In vivo, vernakalant rapidly converts atrial fibrillation to sinus rhythm in animal models and humans through atrial-selective ion channel blockade; the d6 internal standard supports PK studies quantifying vernakalant in plasma, and PK–PD relationships are established between plasma exposure and atrial effective refractory period prolongation or cardioversion efficacy.
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| Enzyme Assay |
Ion channel block is measured by whole-cell patch-clamp electrophysiology in HEK293 or CHO cells expressing Kv1.5, Nav1.5, or K2P2.1 channels; vernakalant-d6 HCl is applied at increasing concentrations, and current inhibition is quantified to derive IC50 values; voltage protocols include holding potentials of -80 mV and depolarizing steps to +60 mV for Kv1.5, and frequency-dependent block is assessed for Nav1.5.
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| Cell Assay |
Atrial cardiomyocytes or ion channel-expressing cells are treated with vernakalant-d6 HCl or unlabeled vernakalant, and action potentials are recorded by current-clamp; atrial effective refractory period is measured in isolated atrial tissue preparations, and the d6 tracer is quantified by LC-MS/MS to correlate cellular/tissue exposure with electrophysiological effects.
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| Animal Protocol |
In vivo antiarrhythmic efficacy is evaluated in animal models of atrial fibrillation (e.g., vagally induced or burst-paced AF in dogs or pigs), with vernakalant-d6 HCl or unlabeled vernakalant administered intravenously at defined doses; cardioversion rate, atrial effective refractory period, and AF cycle length are quantified, and plasma concentrations of the d6 tracer are measured by LC-MS/MS to establish PK–PD relationships.
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| References |
| Molecular Formula |
C20H32CLNO4
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|---|---|
| Molecular Weight |
385.925385475159
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| Exact Mass |
385.202
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| CAS # |
866455-16-5
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| Related CAS # |
Vernakalant;794466-70-9
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| PubChem CID |
46781586
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| Appearance |
White to light yellow solid
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| LogP |
3.38
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
17
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| Complexity |
307
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| Defined Atom Stereocenter Count |
2
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| SMILES |
O([C@@H]1CCCC[C@H]1N1C[C@H](O)CC1)CCC1C=CC(OC([H])([H])[H])=C(OC([H])([H])[H])C=1.Cl
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| InChi Key |
HWPBPTAOXVIKGI-DHTOPLTISA-N
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| InChi Code |
InChI=1S/C10H14FNO3S.ClH/c1-16(14,15)8-4-2-7(3-5-8)10(13)9(12)6-11;/h2-5,9-10,13H,6,12H2,1H3;1H/t9-,10-;/m1./s1
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| Chemical Name |
(1R,2S)-2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol;hydrochloride
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5911 mL | 12.9557 mL | 25.9114 mL | |
| 5 mM | 0.5182 mL | 2.5911 mL | 5.1823 mL | |
| 10 mM | 0.2591 mL | 1.2956 mL | 2.5911 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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