| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
Sigma 1 Receptor
σ1 Receptor antagonist-1 selectively targets the sigma 1 receptor with high binding affinity (pKi = 10.28). The sigma-1 receptor is a chaperone protein involved in various cellular processes including cell survival, proliferation, and apoptosis. By antagonizing this receptor, the compound inhibits cell growth and induces cell cycle arrest at the G0/G1 phase. The compound also promotes apoptosis in MCF-7/ADR cells, which are adriamycin-resistant breast cancer cells. Its high selectivity and potency make it a valuable tool for studying sigma-1 receptor biology. |
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| ln Vitro |
σ1 Receptor antagonist-1 (Compound 9) (10 μM; 48 hours) causes MCF-7/ADR cells to undergo apoptosis, stops cell proliferation, and arrests the cell cycle in the G0/G1 phase [1].
In vitro studies demonstrate that σ1 Receptor antagonist-1 (compound 9) at 10 μM for 48 hours arrests the cell cycle at the G0/G1 phase to inhibit cell growth and induces apoptosis of MCF-7/ADR cells. The compound is a highly potent and selective sigma 1 receptor antagonist with a pKi of 10.28. It inhibits cell proliferation and promotes programmed cell death in cancer cells. The compound's ability to overcome drug resistance in MCF-7/ADR cells suggests potential applications in studying chemotherapy resistance mechanisms. It serves as a valuable research tool for sigma-1 receptor pharmacology. |
| ln Vivo |
Compound 9 (one milligram per kilogram; sc) pretreatment markedly enhanced the antinociceptive effects of morphine over the whole duration beginning at sixty minutes[1].
In vivo studies of σ1 Receptor antagonist-1 are limited in publicly available literature. The compound is primarily characterized through in vitro assays in cancer cell lines. Given its potent antiproliferative and pro-apoptotic effects in MCF-7/ADR cells, it may have potential for in vivo investigations of cancer and drug resistance. However, specific in vivo efficacy data, pharmacokinetic properties, and animal model studies have not been extensively reported. Further research is needed to establish its in vivo activity profile and therapeutic potential. The compound remains a research tool for sigma-1 receptor studies. |
| Enzyme Assay |
For sigma-1 receptor binding assays, membrane preparations from cells expressing human recombinant sigma-1 receptors are incubated with radiolabeled ligands (e.g., [3H]-pentazocine or [3H]-DTG) and varying concentrations of σ1 Receptor antagonist-1. Non-specific binding is determined using excess unlabeled reference compound (e.g., haloperidol). Following incubation at appropriate temperature (typically 25-37°C for 60-120 minutes), bound and free radioligands are separated by rapid filtration through glass fiber filters. Filters are washed, dried, and radioactivity counted by liquid scintillation. Ki or pKi values are calculated from competitive binding curves. Assays are performed in triplicate with appropriate vehicle controls.
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| Cell Assay |
Cell Cycle Analysis[1]
Cell Types: MCF-7/ADR, MCF-7 cells Tested Concentrations: 10 μM Incubation Duration: 48 hrs (hours) Experimental Results: Increased the number of cells in G0/G1 (27.8%) and diminished those in S phase ( 46.7%), in a sigma 1-dependent manner. It selectively affects the high sigma 1 receptor expressing MCF-7/ADR but not the low sigma 1 receptor expressing MCF-7 cells. For in vitro cellular assays, MCF-7/ADR cells or other cancer cell lines are cultured in appropriate media under standard conditions (37°C, 5% CO2). σ1 Receptor antagonist-1 is dissolved in DMSO and diluted in culture medium to desired concentrations (e.g., 10 μM). Cells are treated with compound for specified durations (e.g., 48 hours). Cell viability is assessed using MTT, CCK-8, or ATP-luminescence assays. Cell cycle analysis is performed by flow cytometry after propidium iodide staining. Apoptosis is assessed using Annexin V-FITC staining, caspase activity assays, or TUNEL staining. Each concentration is tested in replicate wells with vehicle controls. |
| Animal Protocol |
Animal/Disease Models: Male CD-1 mice[1]
Doses: 1 mg/kg Route of Administration: Sc Experimental Results: Dramatically increased the anti-nociceptive effect produced by morphine over the entire time course starting at 60 min. For in vivo animal studies of σ1 Receptor antagonist-1, no specific published protocols are available. For general in vivo administration of sigma-1 receptor antagonists, compounds are typically formulated in suitable vehicles (e.g., DMSO/PEG300/saline or CMC-Na suspensions) and administered via oral gavage, intraperitoneal (i.p.) injection, or intravenous (i.v.) injection. Dosing regimens vary by study objective. For cancer models, tumor-bearing animals may be treated with compound and tumor growth is monitored. Blood and tissue samples may be collected for pharmacokinetic analysis. All procedures must follow institutional animal care and use committee guidelines. |
| ADME/Pharmacokinetics |
Pharmacokinetic properties of σ1 Receptor antagonist-1 are characteristic of a small-molecule receptor antagonist. The compound has a molecular weight of 337.48, formula C21H23NOS, and CAS number 1204401-49-9. Purity: 99.8%. Storage: powder at -20°C for 3 years; in solvent at -80°C for 1 year. Solubility: DMSO 90 mg/mL (266.68 mM) with sonication. Specific pharmacokinetic parameters such as half-life, clearance, and bioavailability are not extensively reported in publicly available sources.
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| Toxicity/Toxicokinetics |
According to available safety information, σ1 Receptor antagonist-1 is intended for research purposes only and cannot be used for human consumption. Standard laboratory safety precautions should be followed when handling this compound, including the use of appropriate personal protective equipment (gloves, lab coat, safety goggles). The compound should be handled in a well-ventilated area. Avoid dust formation and inhalation. In case of skin contact, wash with plenty of soap and water. In case of eye contact, rinse cautiously with water for several minutes. No clinical toxicity data are available.
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| References | |
| Additional Infomation |
σ1 Receptor antagonist-1 (compound 9) is a highly potent and selective sigma 1 receptor antagonist with a pKi of 10.28. At 10 μM for 48 hours, it arrests the cell cycle at G0/G1 phase and induces apoptosis of MCF-7/ADR cells. It has a molecular weight of 337.48 and formula C21H23NOS. The compound is a valuable research tool for studying sigma-1 receptor function and cancer biology. It is for research use only with no clinical development or regulatory approvals reported.
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| Molecular Formula |
C21H23NOS
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|---|---|
| Molecular Weight |
337.48
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| Exact Mass |
337.15
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| CAS # |
1204401-49-9
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| PubChem CID |
45487212
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| Appearance |
Light yellow to light brown solid powder
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| LogP |
4.583
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
24
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| Complexity |
426
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CN(CCC1C2CC(=O)C3=CC=CC=C3S2)CC4=CC=CC=C4
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| InChi Key |
XWMHOCDNGHEUMF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H23NOS/c23-19-14-21(24-20-9-5-4-8-18(19)20)17-10-12-22(13-11-17)15-16-6-2-1-3-7-16/h1-9,17,21H,10-15H2
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| Chemical Name |
2-(1-benzylpiperidin-4-yl)-2,3-dihydrothiochromen-4-one
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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 (296.31 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.41 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (7.41 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 | 2.9631 mL | 14.8157 mL | 29.6314 mL | |
| 5 mM | 0.5926 mL | 2.9631 mL | 5.9263 mL | |
| 10 mM | 0.2963 mL | 1.4816 mL | 2.9631 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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