| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg | |||
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| Targets |
SOCE inhibitor 1 targets store-operated calcium entry (SOCE), a major calcium influx pathway mediated by the calcium release-activated calcium (CRAC) channel. SOCE is activated by depletion of intracellular calcium stores and is essential for various cellular functions including immune cell activation, muscle contraction, and neurotransmission. The compound acts as a calcium store-regulated calcium channel inhibitor with an IC₅0 of 4.4 microM. By inhibiting SOCE, it modulates calcium signaling and cellular functions.
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| ln Vitro |
In vitro, SOCE inhibitor 1 is a store-operated calcium entry (SOCE) inhibitor with an IC₅0 of 4.4 microM. It shows good stability in plasma. The compound's inhibitory activity is typically assessed in calcium flux assays using fluorescent calcium indicators such as Fura-2 or Fluo-4. By inhibiting SOCE, the compound modulates calcium signaling in various cell types. Its selectivity and potency make it a valuable tool for studying SOCE-mediated processes.
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| ln Vivo |
In vivo studies of SOCE inhibitor 1 are limited, as it is primarily used as a research tool in cellular assays. However, given its inhibition of SOCE with an IC₅0 of 4.4 microM, the compound may have potential for in vivo studies exploring calcium signaling in immune cells, muscle contraction, and neurophysiological processes. Further in vivo studies are needed to evaluate its pharmacokinetic properties, bioavailability, and efficacy in various disease models, including inflammation and autoimmune diseases.
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| Enzyme Assay |
For in vitro enzyme/receptor binding assays, SOCE inhibitor 1 is not typically used in direct binding assays, as it targets ion channel function rather than a specific receptor. Its activity is assessed using calcium flux assays that measure store-operated calcium entry. Cells are treated with thapsigargin or other agents to deplete intracellular calcium stores, and calcium influx is measured using fluorescent calcium indicators. The compound is incubated with cells at various concentrations, and the inhibition of calcium entry is quantified. IC₅0 values are determined from dose-response curves.
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| Cell Assay |
For in vitro cellular experiments, SOCE inhibitor 1 is tested in various cell types including immune cells, muscle cells, and neurons to evaluate its effects on calcium signaling and cellular functions. Cells are cultured in appropriate media and treated with various concentrations of the compound. Calcium influx is measured using fluorescent calcium indicators. The compound's effects on cell activation, proliferation, cytokine production, contraction, or neurotransmission are assessed depending on the cell type. Cell viability is monitored using standard assays.
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| Animal Protocol |
For in vivo animal experiments, SOCE inhibitor 1 can be administered to animals via various routes including oral gavage, intravenous injection, or intraperitoneal injection, depending on its solubility and pharmacokinetic properties. The compound's efficacy can be evaluated in models of inflammation, autoimmune diseases, or other conditions where SOCE plays a role. Typical dosing regimens may range from 1 to 50 mg/kg. Inflammatory markers, immune cell activation, and disease severity are assessed. Animal studies should follow appropriate ethical guidelines.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of SOCE inhibitor 1 indicate good stability in plasma. As a small molecule with a molecular weight of 513.47, it may have reasonable bioavailability and tissue distribution. Detailed parameters such as Cₘₐₓ, Tₘₐₓ, AUC, half-life, and clearance would need to be determined through comprehensive PK studies. The compound's metabolism and excretion pathways remain to be fully characterized. Formulation development may be optimized for in vivo administration.
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| Toxicity/Toxicokinetics |
Toxicological data for SOCE inhibitor 1 are limited, as it is primarily a research tool. As a SOCE inhibitor, its toxicity would depend on the importance of SOCE for normal cellular function. SOCE is essential for immune cell activation, muscle contraction, and other physiological processes. Comprehensive toxicology studies including acute and repeated-dose toxicity, genotoxicity, and cardiotoxicity assessments would be needed for further development. Appropriate safety precautions should be taken when handling this compound.
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| References | |
| Additional Infomation |
SOCE inhibitor 1 is a research compound used to study calcium signaling and SOCE-mediated processes. No clinical trials or regulatory approvals have been reported for this compound as a therapeutic agent. It is available from various chemical suppliers for research purposes only. The compound is a SOCE inhibitor with an IC₅0 of 4.4 microM that is useful for studying calcium signaling in immune cells, muscle contraction, and neurophysiological processes.
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| Molecular Formula |
C25H22F3N5O4
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|---|---|
| Molecular Weight |
513.47
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| Exact Mass |
513.162
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| CAS # |
2169316-15-6
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| PubChem CID |
132212016
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| Appearance |
White to pink solid powder
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| LogP |
5
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
37
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| Complexity |
795
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(C(C)OC(C1C=NN(C2C=CC(=CC=2)N2N=NC(C3C=CC=C(C=3)C(=O)O)=C2)C=1C(F)(F)F)=O)CC
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| InChi Key |
ZAJXAJYMOCWUGX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C25H22F3N5O4/c1-3-5-15(2)37-24(36)20-13-29-33(22(20)25(26,27)28)19-10-8-18(9-11-19)32-14-21(30-31-32)16-6-4-7-17(12-16)23(34)35/h4,6-15H,3,5H2,1-2H3,(H,34,35)
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| Chemical Name |
3-[1-[4-[4-pentan-2-yloxycarbonyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-4-yl]benzoic acid
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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) |
DMSO : ~100 mg/mL (~194.75 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (4.87 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
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 (4.87 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 | 1.9475 mL | 9.7377 mL | 19.4753 mL | |
| 5 mM | 0.3895 mL | 1.9475 mL | 3.8951 mL | |
| 10 mM | 0.1948 mL | 0.9738 mL | 1.9475 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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