| 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 |
Ki: 0.93 nM and 72 nM for S1R and S2R[1]
S1R agonist 1 hydrochloride selectively targets the sigma-1 receptor (S1R) as an agonist/activator with a Ki of 0.93 nM. It also binds to sigma-2 receptor (S2R) with a Ki of 72 nM, demonstrating approximately 77-fold selectivity for S1R. The sigma-1 receptor is a chaperone protein involved in various cellular processes including neuroprotection, neurite outgrowth, and modulation of ion channels. By activating S1R, the compound exerts neuroprotective effects against oxidative stress and excitotoxicity. It also promotes neuronal differentiation through NGF-enhanced neurite outgrowth. |
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| ln Vitro |
In a dose-dependent manner, nerve growth factor (NGF)-induced neurite development in PC12 cells can be markedly enhanced by S1R agonist 1 (Compound 6b; 0.1-5 μM) hydrochloride [1]. At a dosage of 1 μM, S1R agonist 1 (24 h) hydrochloride significantly inhibits Rotenone-induced cell damage in SHSY5Y cells [1]. Neuroprotective effects of S1R agonist 1 (0.1-5 μM; 24 h) hydrochloride on NMDA activation in SHSY5Y cells [1]. For A549, LoVo, and Panc-1 cells, S1R agonist 1 (0-10 μM; 24-72 h) hydrochloride exhibits no cytotoxicity [1].
In vitro studies demonstrate that S1R agonist 1 hydrochloride (Compound 6b) is a selective S1R agonist with Ki values of 0.93 nM for S1R and 72 nM for S2R. The compound (0.1-5 μM) significantly enhances neurite outgrowth induced by nerve growth factor (NGF) in PC12 cells in a dose-dependent manner. At 1 μM for 24 hours, it inhibits rotenone-induced damage in SH-SY5Y cells. It also exhibits neuroprotective effects against reactive oxygen species (ROS) and NMDA-induced neurotoxicity. The compound's high selectivity and potency make it a valuable tool for studying S1R biology. |
| ln Vivo |
At a concentration of 10 μM, S1R agonist 1 (Compound 6b; 0.1-50 μM; 120 h) hydrochloride killed 4 of the 8 zebrafish embryos [1].
In vivo studies of S1R agonist 1 hydrochloride are limited in publicly available literature. Given its potent S1R agonist activity and neuroprotective effects in vitro, the compound may have potential for in vivo investigations of neurodegenerative diseases, neuroprotection, and neuronal regeneration. 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 pharmacology and neuroprotection studies. |
| Enzyme Assay |
For sigma-1 receptor binding assays, membrane preparations from cells expressing human recombinant S1R or S2R are incubated with radiolabeled ligands (e.g., [3H]-pentazocine for S1R, [3H]-DTG for S2R) and varying concentrations of S1R agonist 1 hydrochloride. Non-specific binding is determined using excess unlabeled reference compounds. 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 values are calculated from competitive binding curves using the Cheng-Prusoff equation. Assays are performed in triplicate with appropriate vehicle controls.
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| Cell Assay |
For in vitro cellular assays, PC12 cells or SH-SY5Y cells are cultured in appropriate media under standard conditions (37°C, 5% CO2). S1R agonist 1 hydrochloride is dissolved in DMSO and diluted in culture medium to desired concentrations (0.1-5 μM). For neurite outgrowth assays, PC12 cells are treated with NGF and compound, and neurite length is measured after 48-72 hours. For neuroprotection assays, SH-SY5Y cells are treated with compound (1 μM, 24 hours) prior to rotenone or NMDA exposure. Cell viability is assessed using MTT or similar assays. ROS levels can be measured using fluorescent probes. Each concentration is tested in replicate wells with vehicle controls.
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| Animal Protocol |
For in vivo animal studies of S1R agonist 1 hydrochloride, no specific published protocols are available. For general in vivo administration of sigma-1 receptor agonists, compounds are typically formulated in suitable vehicles and administered via oral gavage, intraperitoneal (i.p.) injection, or intravenous (i.v.) injection. Dosing regimens vary by study objective. For neuroprotection studies, animals may be subjected to ischemic or excitotoxic injury models and treated with compound. Behavioral assessments and tissue analysis may be performed. All procedures must follow institutional animal care and use committee guidelines.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of S1R agonist 1 hydrochloride are characteristic of a small-molecule receptor agonist. The compound has a molecular weight of 331.88, formula C20H26ClNO, and CAS number 242487-82-7. Solubility: DMSO 100 mg/mL (301.31 mM). Storage: typically at -20°C for powder; in solvent at -80°C. The compound is a hydrochloride salt. 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, S1R agonist 1 hydrochloride is intended for research purposes only. 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 |
S1R agonist 1 hydrochloride (Compound 6b) is a selective sigma-1 receptor agonist with Ki values of 0.93 nM (S1R) and 72 nM (S2R). It exhibits neuroprotective effects against ROS and NMDA-induced neurotoxicity and enhances NGF-induced neurite outgrowth in PC12 cells. It inhibits rotenone-induced damage in SH-SY5Y cells. It has a molecular weight of 331.88 and formula C20H26ClNO. It is for research use only with no clinical development or regulatory approvals reported.
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| Molecular Formula |
C20H26CLNO
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|---|---|
| Molecular Weight |
331.879544734955
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| Exact Mass |
331.17
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| CAS # |
242487-82-7
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| Related CAS # |
S1R agonist 1;193354-70-0
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| PubChem CID |
117067724
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
23
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| Complexity |
286
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CN(CCC1CC2=CC=CC=C2)CCOC3=CC=CC=C3.Cl
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| InChi Key |
ZMNFHWLFDVATLX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H25NO.ClH/c1-3-7-18(8-4-1)17-19-11-13-21(14-12-19)15-16-22-20-9-5-2-6-10-20;/h1-10,19H,11-17H2;1H
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| Chemical Name |
4-benzyl-1-(2-phenoxyethyl)piperidine;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: 100 mg/mL (301.31 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.53 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 (7.53 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (7.53 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.0131 mL | 15.0657 mL | 30.1314 mL | |
| 5 mM | 0.6026 mL | 3.0131 mL | 6.0263 mL | |
| 10 mM | 0.3013 mL | 1.5066 mL | 3.0131 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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