| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 25mg | |||
| 50mg | |||
| Other Sizes |
| Targets |
Hyperpolarization-activated cyclic nucleotide-gated (HCN) channels (funny channel / If current).
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|---|---|
| ln Vitro |
N-Demethyl Ivabradine hydrochloride is a specific inhibitor of the funny channel, similar to the parent compound Ivabradine. It blocks the hyperpolarization-activated inward current (If) in a concentration-dependent manner, reducing the slope of diastolic depolarization in sinoatrial node cells.
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| ln Vivo |
As a metabolite, its in vivo activity contributes to the overall bradycardic effect of Ivabradine. It exhibits similar pharmacological activity to the parent compound in reducing heart rate by inhibiting the If current in the sinoatrial node.
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| Enzyme Assay |
HCN channel binding assays are performed using membrane preparations from cells expressing human HCN channels. Radiolabeled ligand displacement or patch-clamp electrophysiology is used to measure the compound's affinity and inhibitory potency at the If channel.
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| Cell Assay |
Cells expressing HCN channels (e.g., HEK-293 cells transfected with HCN4) are treated with the compound. Whole-cell patch-clamp recordings measure the inhibition of hyperpolarization-activated currents. The IC50 for channel blockade is determined from concentration-response curves.
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| Animal Protocol |
Animal models (e.g., rats or dogs) are used to assess the bradycardic effects of the compound. Heart rate is monitored via ECG telemetry following oral or intravenous administration. The compound's ability to reduce heart rate without affecting other cardiovascular parameters is evaluated.
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| ADME/Pharmacokinetics |
Similar to Ivabradine, the compound is expected to have good oral bioavailability (~40-50%) and a half-life of approximately 2 hours in humans. It is primarily metabolized by CYP3A4. The metabolite may have slightly different pharmacokinetic properties compared to the parent drug.
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| Toxicity/Toxicokinetics |
The safety profile is expected to be similar to Ivabradine. Common side effects include visual disturbances (phosphenes), bradycardia, and atrial fibrillation. The metabolite is not known to have unique toxicity concerns beyond those of the parent compound.
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| Additional Infomation |
N-Demethyl Ivabradine hydrochloride is a primary metabolite of Ivabradine and is used as an impurity reference standard. Ivabradine is approved for the treatment of chronic heart failure and angina pectoris. The metabolite is not approved as a therapeutic agent but is important for quality control of Ivabradine formulations.
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| Molecular Formula |
C26H34N2O5.HCL
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|---|---|
| Molecular Weight |
491.0195
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| Exact Mass |
490.223
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| CAS # |
1246638-08-3
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| Related CAS # |
N-Demethyl Ivabradine-d6 hydrochloride;Ivabradine hydrochloride;148849-67-6;Ivabradine-d6 hydrochloride;2070009-63-9;Ivabradine-d3 hydrochloride;1217809-61-4
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| PubChem CID |
66672699
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| Appearance |
White to off-white solid powder
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| LogP |
4.098
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
34
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| Complexity |
634
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| Defined Atom Stereocenter Count |
1
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| SMILES |
COC1=C(C=C2CC(=O)N(CCC2=C1)CCCNC[C@H]3CC4=CC(=C(C=C34)OC)OC)OC.Cl
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| InChi Key |
MIIIKWNQFDQJGS-VEIFNGETSA-N
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| InChi Code |
InChI=1S/C26H34N2O5.ClH/c1-30-22-11-17-6-9-28(26(29)14-18(17)12-23(22)31-2)8-5-7-27-16-20-10-19-13-24(32-3)25(33-4)15-21(19)20;/h11-13,15,20,27H,5-10,14,16H2,1-4H3;1H/t20-;/m1./s1
|
| Chemical Name |
3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one;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) |
DMSO : ~66.67 mg/mL (~135.78 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.09 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.09 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0366 mL | 10.1829 mL | 20.3658 mL | |
| 5 mM | 0.4073 mL | 2.0366 mL | 4.0732 mL | |
| 10 mM | 0.2037 mL | 1.0183 mL | 2.0366 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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