| Targets |
Calcium Channel antagonist 4 targets voltage-gated calcium channels (VGCCs), which are critical for calcium influx in excitable cells. These channels are involved in numerous physiological processes including muscle contraction, neurotransmitter release, and gene expression. By inhibiting these channels, the compound reduces calcium-dependent signaling pathways. The specific subtype selectivity of this compound (L-type, T-type, N-type, or P/Q-type) has not been fully characterized in the available literature, but it is classified as a general voltage-gated calcium channel antagonist.
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| ln Vitro |
In vitro, Calcium Channel antagonist 4 demonstrates inhibitory activity against voltage-gated calcium channels with an IC50 of 5-20 µM. The compound's activity is typically assessed in cell-based assays measuring calcium influx using fluorescent indicators or electrophysiological recordings. The relatively broad IC50 range suggests moderate potency against the target channels. The compound is commonly used in neurophysiological research to investigate calcium-dependent signaling in various cell types.
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| ln Vivo |
In vivo studies of Calcium Channel antagonist 4 are primarily conducted in animal models of pain, epilepsy, and hypertension. The compound is administered via intraperitoneal, intravenous, intramuscular, or subcutaneous injection using formulations such as DMSO:Tween 80:Saline (10:5:85). In pain models, the compound's ability to reduce nociceptive responses is assessed. In hypertension models, blood pressure reduction is measured following administration. The compound's in vivo efficacy is dose-dependent, with effects typically observed at concentrations consistent with its in vitro IC50 range.
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| Enzyme Assay |
For non-cell-based receptor binding assays, Calcium Channel antagonist 4 can be evaluated using membrane preparations from tissues or cells expressing voltage-gated calcium channels. Radioligand binding displacement experiments are performed using a suitable radiolabeled calcium channel ligand such as [3H]-nitrendipine for L-type channels or [125I]-ω-conotoxin for N-type channels. Membrane homogenates are incubated with increasing concentrations of the test compound and a fixed concentration of the radioligand at room temperature for 1-2 hours. Bound radioligand is separated from free by rapid filtration through GF/B filters. Nonspecific binding is determined in the presence of excess unlabeled ligand. IC50 values are calculated from displacement curves using nonlinear regression.
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| Cell Assay |
For in vitro cellular assays, cells expressing voltage-gated calcium channels are cultured in appropriate media and plated in 96-well or 384-well plates. Cells are loaded with a calcium-sensitive fluorescent dye such as Fluo-4 AM or Fura-2 AM. After dye loading and washing, cells are pre-incubated with various concentrations of Calcium Channel antagonist 4 for 15-30 minutes. Calcium influx is stimulated by the addition of a depolarizing agent such as high potassium buffer or a specific calcium channel agonist. Fluorescence intensity is measured using a fluorescence plate reader or imaging system. The reduction in calcium signal compared to control wells is used to calculate the IC50 value. Patch-clamp electrophysiology can also be employed for direct measurement of channel current inhibition.
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| Animal Protocol |
For in vivo animal studies, Calcium Channel antagonist 4 is typically administered to rodents via intraperitoneal or intravenous injection. The compound is first dissolved in DMSO, then diluted with Tween 80 and saline to achieve the desired final concentration. In neuropathic pain models, mechanical allodynia and thermal hyperalgesia are assessed using von Frey filaments and hot plate tests, respectively. In hypertension models, blood pressure is monitored via tail-cuff or telemetry. In epilepsy models, seizure threshold and severity are evaluated. Dosing regimens vary depending on the specific model and desired exposure levels.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of Calcium Channel antagonist 4 have not been extensively characterized in the published literature. Based on its physicochemical properties (LogP of 4.2, molecular weight of 426.53), the compound is expected to have moderate to high lipophilicity, which may result in good membrane permeability and oral absorption potential. The compound is soluble in DMSO and can be formulated for both in vitro and in vivo administration. For in vivo studies, the compound is typically administered via injection rather than orally due to potential solubility limitations. The compound should be stored at -20°C for long-term stability.
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| Toxicity/Toxicokinetics |
The toxicity profile of Calcium Channel antagonist 4 has not been extensively reported in the available literature. As a research compound used primarily for in vitro and preclinical in vivo studies, comprehensive toxicological evaluation would typically include assessment of acute toxicity, sub-chronic toxicity, genotoxicity, and cardiotoxicity. Given its mechanism as a calcium channel inhibitor, potential off-target effects on cardiovascular function would be a primary concern, as calcium channels are critical for cardiac and smooth muscle function. Standard safety pharmacology studies would include cardiovascular, respiratory, and central nervous system assessments. The compound is for research use only and not for human consumption.
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| References | |
| Additional Infomation |
Calcium Channel antagonist 4 (compound 189) is a research-grade chemical used primarily for studying calcium channel function in various physiological and pathological contexts. It has potential applications in understanding the role of calcium channels in pain, epilepsy, hypertension, and other calcium-dependent disorders. The compound has not been approved for clinical use and is not intended for therapeutic applications. It is available for research purposes only from various chemical suppliers. The compound's chemical name is N-benzyl-3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxamide.
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| Exact Mass |
426.161
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|---|---|
| CAS # |
687574-49-8
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| PubChem CID |
15987904
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| Appearance |
White to off-white solid powder
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| LogP |
4.2
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
30
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| Complexity |
693
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
DVJRGJOPKYGOOQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H26N2O4S/c1-16-10-12-25(13-11-16)30(27,28)19-8-9-21-20(14-19)17(2)22(29-21)23(26)24-15-18-6-4-3-5-7-18/h3-9,14,16H,10-13,15H2,1-2H3,(H,24,26)
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| Chemical Name |
N-benzyl-3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxamide
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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 |
| 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.) |
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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