| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 100mg | |||
| Other Sizes |
| Targets |
The primary target of NE100 HCl is the sigma-1 receptor (σ1), a chaperone protein located at the endoplasmic reticulum membrane that modulates various cellular functions, including calcium signaling, neuroprotection, and neuronal plasticity. NE100 HCl acts as a potent and specific antagonist of the sigma-1 receptor, with an IC50 of 4.16 nM. It only weakly antagonizes dopamine, serotonin, and PCP receptors, indicating a high degree of selectivity for the sigma-1 receptor. By blocking sigma-1 receptor signaling, NE100 HCl can modulate neurotransmitter systems and exert antipsychotic effects.
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| ln Vitro |
In vitro, NE100 HCl demonstrates potent and specific antagonist activity at the sigma-1 receptor, with an IC50 of 4.16 nM. It exhibits weak antagonism of dopamine, serotonin, and PCP receptors, confirming its selectivity. The compound is commonly used in cell-based assays to study the role of sigma-1 receptor signaling in various cellular processes. However, detailed cellular activity data beyond receptor binding are not extensively reported in the available literature.
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| ln Vivo |
NE100 HCl exhibits antipsychotic activity in vivo, confirming its potential as a tool for studying sigma-1 receptor function in animal models. It also inhibits endoplasmic reticulum stress-induced hippocampal cell death, suggesting neuroprotective properties. However, specific in vivo efficacy data, including animal models, dosing regimens, and pharmacokinetic-pharmacodynamic relationships, are not extensively detailed in the available literature.
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| Enzyme Assay |
In vitro receptor binding assays for NE100 HCl typically involve measuring its displacement of a radiolabeled sigma-1 receptor ligand from membrane preparations expressing the receptor. The receptor is incubated with a radiolabeled ligand (e.g., [³H]-DTG or [³H]-haloperidol) in the presence of varying concentrations of NE100 HCl. After incubation to reach equilibrium, bound and free radioligands are separated, and the radioactivity is measured to calculate the IC50 or Ki value, with NE100 HCl showing an IC50 of 4.16 nM.
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| Cell Assay |
Cellular assays for NE100 HCl are performed in cells expressing sigma-1 receptors to assess its antagonist activity. Cells are treated with NE100 HCl in the presence or absence of a sigma-1 receptor agonist, and receptor-mediated signaling pathways are measured. The compound's ability to block agonist-induced effects, such as calcium mobilization or modulation of ion channels, is assessed. These assays confirm the compound's antagonist activity at the sigma-1 receptor.
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| Animal Protocol |
In vivo animal studies with NE100 HCl have been performed to evaluate its antipsychotic activity. In these studies, the compound is administered systemically, and its effects on behaviors relevant to psychosis, such as prepulse inhibition or amphetamine-induced hyperactivity, are assessed. The compound's ability to inhibit endoplasmic reticulum stress-induced hippocampal cell death may also be evaluated in models of neurodegeneration. However, specific protocols are not detailed in the available literature.
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| ADME/Pharmacokinetics |
NE100 HCl has a molecular weight of 391.97 and a molecular formula of C23H33NO2·HCl. It is soluble in DMSO at approximately 250 mg/mL (~637.80 mM) and in water at ≥100 mg/mL (~255.12 mM). The compound is stable when stored as a powder at -20°C for up to 3 years or at 4°C for up to 2 years, and in solution at -80°C for up to 6 months. Detailed pharmacokinetic parameters are not extensively reported.
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| Toxicity/Toxicokinetics |
Comprehensive toxicology data for NE100 HCl are not extensively reported. The compound is classified as a research-use-only chemical and is not intended for human consumption. As a sigma-1 receptor antagonist, it may have effects on various physiological processes that could contribute to toxicity at high concentrations. Specific toxicological data, including acute toxicity, genotoxicity, and target organ effects, are not reported in the available literature.
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| References | |
| Additional Infomation |
NE100 HCl is a research-grade compound not approved for clinical use. Its primary application is as a pharmacological tool for studying the sigma-1 receptor. The compound is widely used to investigate the role of sigma-1 receptors in neurological and psychiatric disorders, including schizophrenia, depression, and neurodegenerative diseases. Its high selectivity and potency make it a valuable reagent for dissecting sigma-1 receptor function and for validating the receptor as a therapeutic target.
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| Molecular Formula |
C23H34CLNO2
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| Molecular Weight |
391.9746
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| Exact Mass |
391.228
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| CAS # |
149409-57-4
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| PubChem CID |
9952420
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| Appearance |
White to light yellow solid powder
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| Boiling Point |
475.2ºC at 760 mmHg
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| Flash Point |
137.4ºC
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| Vapour Pressure |
3.37E-09mmHg at 25°C
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| LogP |
5.783
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
12
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| Heavy Atom Count |
27
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| Complexity |
337
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
ZHGMDXSHODHWHV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H33NO2.ClH/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20;/h6-12,19H,4-5,13-18H2,1-3H3;1H
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| Chemical Name |
N-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;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 : ~250 mg/mL (~637.80 mM)
H2O : ≥ 100 mg/mL (~255.12 mM) |
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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 | 2.5512 mL | 12.7561 mL | 25.5122 mL | |
| 5 mM | 0.5102 mL | 2.5512 mL | 5.1024 mL | |
| 10 mM | 0.2551 mL | 1.2756 mL | 2.5512 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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