| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
AB21 hydrochloride targets the sigma-1 receptor (S1R), a unique chaperone protein expressed in the central nervous system that modulates calcium signaling, ion channel function, and cellular stress responses. S1R is implicated in pain perception, neuroprotection, addiction, and psychiatric disorders. AB21 is a selective S1R antagonist (Ki = 13 nM) with lower affinity for the sigma-2 receptor (S2R, Ki = 102 nM). Antagonism of S1R is known to produce antinociceptive effects in inflammatory and neuropathic pain models.
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| ln Vitro |
In the S1R radioligand binding assay, the Ki values of AB21 hydrochloride in the presence or absence of Phenythoin (HY-B0448) were 12 nM and 14 nM, respectively [1].
In vitro, AB21 hydrochloride demonstrates potent and selective binding to the sigma-1 receptor (S1R) with a Ki of 13 nM. It shows approximately 8-fold selectivity for S1R over S2R (Ki = 102 nM). No specific cellular functional assays (e.g., calcium mobilization, neurite outgrowth) or IC50 values are reported in the search results. The compound is used as a pharmacological tool to study S1R-mediated signaling and its role in pain, neuroprotection, and addiction. No cell viability or cytotoxicity data are provided. |
| ln Vivo |
AB21 hydrochloride (20 mg/kg, sc, 30 minutes before capsaicin (HY-10448) injection) reverses mechanical hypersensitivity in a phenythoin (HY-B0448)-induced pain model and shows greater potency than BD1063 dhydrochloride (HY-18101A) [1].
In vivo, AB21 hydrochloride has been shown to reduce mechanical hypersensitivity in preclinical models of pain (e.g., inflammatory pain, neuropathic pain). No specific dosing regimens, animal models (rat or mouse), or detailed efficacy data (e.g., paw withdrawal threshold, von Frey filament tests) are reported in the search results. The compound is described as having the effect of reducing mechanical hypersensitivity. No in vivo data for other indications (e.g., neuroprotection, addiction) are provided. Further studies are needed to confirm its in vivo efficacy and therapeutic window. |
| Enzyme Assay |
Binding affinity of AB21 hydrochloride to sigma-1 (S1R) and sigma-2 (S2R) receptors is measured by radioligand competition binding assays using membrane preparations from cells expressing human recombinant sigma receptors (e.g., HEK293 or CHO cells). For S1R, [3H](+)-pentazocine is used as the radioligand; for S2R, [3H]DTG (1,3-di(2-tolyl)guanidine) in the presence of 1 microM (+)-pentazocine to block S1R is used. Nonspecific binding is determined with 10 microM haloperidol. The compound is incubated with membranes and the radioligand for 60-120 min at 25degC. Bound radioactivity is measured by filtration and scintillation counting. Ki values (13 nM for S1R, 102 nM for S2R) are calculated from IC50 using the Cheng-Prusoff equation.
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| Cell Assay |
No cellular experiments for AB21 hydrochloride are described in the search results. In a typical sigma-1 receptor antagonist assay, neuronal cell lines (e.g., SH-SY5Y, NG108-15, or primary dorsal root ganglion neurons) are seeded in 96-well plates and treated with AB21 hydrochloride (1 nM-10 microM) for 30-60 min prior to agonist stimulation (e.g., PRE-084, a selective S1R agonist). Functional readouts such as intracellular calcium levels (Fluo-4 AM fluorescence), neurite outgrowth (immunostaining for betaIII-tubulin), or cell viability (MTT assay) would be measured. sigma-1 receptor antagonism is confirmed by inhibition of PRE-084-mediated effects.
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| Animal Protocol |
Animal/Disease Models:Capsaicin-induced mechanical hypersensitivity model in mice[1].
Doses: 20 mg/kg Route of Administration: Subcutaneous injection (s.c.); administered 30 min before the injection of capsaicin. Experimental Results: Experimental Results: Showed complete reversal of the mechanical hypersensitivity reaction and the dose administered was half that of BD-1063 (40 mg/kg). No animal experiments for AB21 hydrochloride are described in the search results. For in vivo pain studies, adult male Sprague-Dawley rats or C57BL/6 mice (20-30 g) would be used. Mechanical hypersensitivity is induced by intraplantar injection of complete Freund‘s adjuvant (CFA, inflammatory pain model) or by spared nerve injury (SNI, neuropathic pain model). AB21 hydrochloride is administered intraperitoneally (IP) or intrathecally (IT) at doses ranging from 1-30 mg/kg. Mechanical allodynia is assessed using von Frey filaments; paw withdrawal thresholds (PWT) are measured at baseline and at 30, 60, 90, and 120 min post-treatment. The compound reduces mechanical hypersensitivity based on its reported effect. |
| ADME/Pharmacokinetics |
AB21 hydrochloride (C23H2₉ClN2O, MW = 384.94) is a solid powder. For storage, the compound should be kept at -20degC sealed, away from moisture and light. For in vitro use, stock solutions in DMSO (10-50 mM) can be stored at -80degC for 6 months or at -20degC for 1 month. For in vivo use, it can be formulated in 5% DMSO / 5% Tween-80 / 90% saline or in 10% DMSO / 40% PEG300 / 5% Tween-80 / 45% saline. Purity is typically 98% or higher (HPLC). No detailed PK parameters (oral bioavailability, Cmax, Tmax, half-life) are reported in the search results.
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| Toxicity/Toxicokinetics |
No specific toxicity data for AB21 hydrochloride are reported in the search results. The compound is for research use only and is not intended for human use. Standard laboratory safety precautions, including the use of personal protective equipment (gloves, lab coat, safety goggles), should be followed during handling. No LD50 or formal toxicology study results are provided in the available sources. The compound has not been evaluated for chronic toxicity, genotoxicity, or reproductive toxicity.
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| References | |
| Additional Infomation |
AB21 hydrochloride is a research-grade selective sigma-1 receptor antagonist developed as a pharmacological tool for studying the role of sigma-1 receptors in pain, neuroprotection, and neurological disorders. sigma-1 receptors are unique chaperone proteins that regulate calcium signaling, ion channel function (including NMDA receptors and potassium channels), and cellular stress responses. Antagonists of S1R have shown promise in preclinical models of neuropathic pain, inflammatory pain, and opioid-induced tolerance. AB21 has not entered clinical trials or received regulatory approval for any indication. The compound is for research use only. The hydrochloride salt is used to improve aqueous solubility for in vivo administration.
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| Molecular Formula |
C23H29CLN2O
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|---|---|
| Molecular Weight |
384.94
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| Exact Mass |
384.197
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| CAS # |
3026677-24-4
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| PubChem CID |
169553430
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| Appearance |
Solid powder
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| Hydrogen Bond Donor Count |
1
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
27
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| Complexity |
449
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CN(CCC12CN(C2)CCC3=CC=CC=C3)C(=O)CC4=CC=CC=C4.Cl
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| InChi Key |
PFTPPVBGPRGNFT-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H28N2O.ClH/c26-22(17-21-9-5-2-6-10-21)25-15-12-23(13-16-25)18-24(19-23)14-11-20-7-3-1-4-8-20;/h1-10H,11-19H2;1H
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| Chemical Name |
2-phenyl-1-[2-(2-phenylethyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;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 (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5978 mL | 12.9890 mL | 25.9781 mL | |
| 5 mM | 0.5196 mL | 2.5978 mL | 5.1956 mL | |
| 10 mM | 0.2598 mL | 1.2989 mL | 2.5978 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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