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Purity: ≥98%
S1RA HCl (also known as E-52862 HCl) is a potent and selective sigma-1 receptor(σ1R, Ki=17 nM) antagonist, showed good selectivity against σ2R (Ki > 1000 nM). E-52862 showed high activity in the mouse capsaicin model of neurogenic pain, emerged as the most interesting candidate. In addition, compound 28 exerted dose-dependent antinociceptive effects in several neuropathic pain models. This, together with its good physicochemical, safety, and ADME properties, led compound 28 to be selected as clinical candidate.
| ln Vitro |
For guinea pig σ1R and human σ1R, the Ki values of S1RA hydrochloride (0.1–10,000 nM) are 17 and 23.5 nM, respectively [1]. With a Ki value of 9.3 μM, S1RA hydrochloride (0.1-10000 nM) exhibits affinity for human and guinea pig σ2R [1]. S1RA hydrochloride has an IC50 value of 4.7 μM and a Ki value of 328 nM for human 5-HT2B, indicating that it is a potent receptor [1].
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| ln Vivo |
In a model, the effects of capsaicin-induced mechanical hypersensitivity, formalin-induced nociception, and sciatic nerve damage induction are simulated by S1RA hydrochloride (16–80 mg/kg intraperitoneally or 32-128 mg/kg intracavitally; once).
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| Animal Protocol |
Animal/Disease Models: Male CD1 mice [1]
Doses: 32, 64, 128 and 160 mg/kg Route of Administration: intraperitoneal (ip) injection; mechanical and thermal hypersensitivity [1]. 32, 64, 128 and 160 mg/kg, one Experimental Results:diminished persistence time on the rotarod in the rotarod test. Animal/Disease Models: Formalin-induced nociceptive male CD1 mice [1] Doses: 20, 40 and 80 mg/kg Route of Administration: intraperitoneal (ip) injection; 20, 40 and 80 mg/kg, one Experimental Results:Formalin Lin-induced nociceptive behavior in mice has a dose-dependent analgesic effect. Animal/Disease Models: Male CD1 mice with capsaicin-induced mechanical hypersensitivity [1] Doses: 16, 32, and 64 mg/kg (ip); 32, 64, and 128 mg/kg (oral) Route of Administration: i.p. Injectable or oral; 16, 32, and 64 mg/kg (ip); 32, 64, and 128 mg/kg (oral), once Experimental Results: Dose-dependent reversal of capsaicin-induced mechanical hypersensitivity in mice. |
| References |
[1]. Romero L, et al. Pharmacological properties of S1RA, a new sigma-1 receptor antagonist that inhibits neuropathic pain and activity-induced spinal sensitization. Br J Pharmacol. 2012 Aug;166(8):2289-306.
[2]. Vidal-Torres A, et al. Effects of the selective sigma-1 receptor antagonist S1RA on formalin-induced pain behavior and neurotransmitter release in the spinal cord in rats. J Neurochem. 2014 Jan 3. |
| Molecular Formula |
C20H24CLN3O2
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|---|---|
| Molecular Weight |
373.8765
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| CAS # |
1265917-14-3
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| Related CAS # |
S1RA;878141-96-9
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| SMILES |
Cl[H].O1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])OC2C([H])=C(C([H])([H])[H])N(C3C([H])=C([H])C4=C([H])C([H])=C([H])C([H])=C4C=3[H])N=2)C([H])([H])C1([H])[H]
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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 (~267.47 mM)
H2O : ~16.67 mg/mL (~44.59 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.69 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 (6.69 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 (6.69 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 110 mg/mL (294.21 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.6747 mL | 13.3733 mL | 26.7465 mL | |
| 5 mM | 0.5349 mL | 2.6747 mL | 5.3493 mL | |
| 10 mM | 0.2675 mL | 1.3373 mL | 2.6747 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.
 Binding of S1RA to σ1receptors (σ1R) and σ2receptors (σ2R).Br J Pharmacol.2012 Aug;166(8):2289-306. |
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Effect of S1RA on electrophysiological recordings of spinal cord responses upon application of electrical C-fibre intensity stimuli. |
Dose–response effect of S1RA on the rotarod, capsaicin-induced mechanical hypersensitivity and formalin (phase I and II) tests.Br J Pharmacol.2012 Aug;166(8):2289-30 |
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