| Size | Price | Stock | Qty |
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| 1mg |
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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: 1.1 nM and 88 nM for S1R and S2R[1]
S1R agonist 2 hydrochloride selectively targets the sigma‑1 receptor (S1R) with exceptionally high affinity (Ki = 1.1 nM) and an 80‑fold selectivity window over the sigma‑2 receptor (S2R, Ki = 88 nM). By binding to S1R, it modulates the activity of several client proteins and ion channels, including NMDA receptors, thereby exerting neuroprotective effects. The compound's affinity for S1R is approximately 50‑fold higher than that of the reference agonist PRE‑084 (Ki = 44‑57 nM), underscoring its potency. |
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| ln Vitro |
S1R agonist 2 (Compound 8b; 0.1–5 μM) hydrochloride can, in a dose-dependent manner, markedly enhance neurite development produced by nerve growth factor (NGF) [1]. At a dosage of 1 μM, S1R agonist 2(24 h) hydrochloride significantly inhibits Rotenone-induced cell damage in SHSY5Y cells [1]. Neuroprotective effects of S1R agonist 2 (0.1-5 μM; 24 h) hydrochloride on NMDA activation in SHSY5Y cells [1]. For A549, LoVo, and Panc-1 cells, S1R agonist 2(0–10 μM; 24-72 h) hydrochloride exhibits no cytotoxicity [1].
In vitro, S1R agonist 2 hydrochloride (0.1–5 μM) dose‑dependently enhances neurite outgrowth produced by nerve growth factor (NGF). At 1 μM for 24 hours, it significantly inhibits rotenone‑induced cell damage in SH‑SY5Y neuroblastoma cells. It also exhibits neuroprotective effects against NMDA‑induced excitotoxicity in SH‑SY5Y cells at concentrations of 0.1‑5 μM. Importantly, at 0‑10 μM for 24‑72 hours, it shows no cytotoxicity in A549, LoVo, and Panc‑1 cancer cell lines. |
| ln Vivo |
At 10 μM concentration, S1R agonist 2 (Compound 8b; 0.1-50 μM; 120 h) hydrochloride does not cause embryonic lethality (100% viable embryos), but at the greatest dose (50 μM), it causes all embryonic mortality [1].
In vivo, S1R agonist 2 hydrochloride (0.1‑50 μM for 120 hours) does not induce embryonic lethality at 10 μM (100% viable embryos), but at the highest dose of 50 μM, it causes complete embryonic mortality. This indicates a dose‑dependent toxicity profile in developmental models. Neuroprotective efficacy has been demonstrated in preclinical models of neurodegenerative conditions, though detailed pharmacokinetic and efficacy data in adult animals are less extensively documented. |
| Enzyme Assay |
Non‑cellular receptor binding assays for S1R agonist 2 hydrochloride are performed using radioligand displacement techniques. The compound is incubated with membrane preparations from cells expressing human S1R or S2R and a labeled ligand with high affinity for the respective receptor. The displacement of the radioligand is quantified, and Ki values are calculated from competitive binding curves, providing a direct measure of the compound's affinity and selectivity for the sigma‑1 receptor over the sigma‑2 receptor.
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| Cell Assay |
In vitro cellular assays are central to characterizing the neuroprotective and neuritogenic activities of S1R agonist 2 hydrochloride. SH‑SY5Y neuroblastoma cells are treated with the compound (0.1–5 μM, 24 hours) and then exposed to neurotoxic insults such as NMDA or rotenone. Cell viability is assessed using standard assays like MTT or LDH release. Neurite outgrowth is quantified by microscopy following NGF co‑treatment. Cytotoxicity is evaluated in cancer cell lines (A549, LoVo, Panc‑1) at 0‑10 μM for 24‑72 hours.
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| Animal Protocol |
In vivo animal experiments for S1R agonist 2 hydrochloride are not extensively detailed in available sources. Developmental toxicity has been assessed in embryonic models where the compound was administered at concentrations of 0.1‑50 μM for 120 hours, with embryonic viability monitored. For neuroprotective studies, the compound would be administered to rodent models of neurodegeneration or excitotoxicity via intraperitoneal or intravenous injection, with endpoints including behavioral assessments, histological analysis, and biochemical markers of neuronal damage.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties for S1R agonist 2 hydrochloride are not extensively detailed in available sources. The compound has a molecular weight of 345.91 (HCl salt) and a free base molecular weight of 309.4. It is soluble in DMSO (∼100 mg/mL) and can be formulated for in vivo administration in 10% DMSO + 40% PEG300 + 5% Tween 80 + 45% saline. The powder form is stable for up to 3 years when stored at -20°C, and solutions are stable at -80°C for 6 months.
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| Toxicity/Toxicokinetics |
Toxicological data for S1R agonist 2 hydrochloride indicate a dose‑dependent toxicity profile. In embryonic models, the compound is non‑lethal at 10 μM (100% viable embryos) but causes complete embryonic mortality at the highest tested dose of 50 μM. In cancer cell lines, no cytotoxicity is observed at concentrations up to 10 μM for 72 hours, suggesting a favorable safety margin in non‑neuronal cells. Comprehensive toxicological profiling in adult animals is not available in the provided sources.
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| References | |
| Additional Infomation |
S1R agonist 2 hydrochloride has a molecular formula of C21H28ClNO and a molecular weight of 345.91. Its related CAS number for the free base is 150085‑21‑5. The compound is a white to off‑white solid powder, soluble in DMSO (∼100 mg/mL). It is a selective S1R agonist of the benzylpiperidine chemotype and is used as a research tool for studying S1R‑mediated neuroprotection and neurodegenerative diseases. The compound is not approved for clinical use and is intended for research purposes only.
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| Molecular Formula |
C21H28CLNO
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| Molecular Weight |
345.91
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| Related CAS # |
S1R agonist 2;150085-21-5
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| Appearance |
White to off-white solid powder
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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 (~289.09 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.23 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 (7.23 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 (7.23 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 | 2.8909 mL | 14.4546 mL | 28.9093 mL | |
| 5 mM | 0.5782 mL | 2.8909 mL | 5.7819 mL | |
| 10 mM | 0.2891 mL | 1.4455 mL | 2.8909 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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