| Size | Price | Stock | Qty |
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| 1mg |
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| 10mg |
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| Other Sizes |
| Targets |
Sigma-LIGAND-1 HCl targets the sigma-1 receptor (σ1R), a chaperone protein located in the endoplasmic reticulum. The sigma-1 receptor modulates various cellular functions, including calcium signaling, ion channel activity, and neuroprotection. It is implicated in several neurological and psychiatric disorders, including depression, anxiety, schizophrenia, and neurodegenerative diseases. By binding to the sigma-1 receptor, the compound modulates its activity and downstream signaling pathways.
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| ln Vitro |
Sigma-LIGAND-1 HCl is a selective ligand for the sigma-1 receptor. It modulates the activity of the sigma-1 receptor, which is involved in calcium signaling, ion channel modulation, and neuroprotection. The compound's specific binding affinity (Ki) and selectivity for the sigma-1 receptor over other targets are not extensively documented. It is used in neuropharmacology research to study the role of sigma-1 receptors.
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| ln Vivo |
Using mice as a behavioral model susceptible to antipsychotic drugs, amphetamine-induced hyperlocomotion was reversed by administering Sigma-LIGAND-1 hydrochloride. The structural analogs of sigma-LIGAND-1 hydrochloride and its derivatives may have antipsychotic properties [1].
In vivo, Sigma-LIGAND-1 HCl is used in research to study the role of sigma-1 receptors in neurological and psychiatric disorders. As a sigma-1 receptor ligand, it may modulate neuroprotection, pain, and psychiatric symptoms in animal models. Specific in vivo efficacy data and detailed animal model studies are not extensively documented. The compound is intended for research use only. |
| Enzyme Assay |
The in vitro receptor binding assay for Sigma-LIGAND-1 HCl typically involves measuring its affinity for the sigma-1 receptor using radioligand binding. Membrane preparations from cells expressing the sigma-1 receptor are incubated with varying concentrations of the compound (typically 0.001-100 µM) and a radiolabeled ligand such as [3H]pentazocine. The binding affinity is determined by competition binding analysis. The compound is dissolved in DMSO and diluted in assay buffer.
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| Cell Assay |
In vitro cellular assays for Sigma-LIGAND-1 HCl typically involve treating cells expressing the sigma-1 receptor with the compound at concentrations ranging from 0.001 to 10 µM. Receptor modulation is assessed by measuring downstream signaling effects, such as calcium mobilization, ion channel activity, or neuroprotective effects. Cell viability is assessed using MTT or other standard assays. The compound is dissolved in DMSO and diluted in cell culture medium.
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| Animal Protocol |
In vivo animal studies for Sigma-LIGAND-1 HCl typically involve administration to mice or rats via oral gavage or intraperitoneal injection at doses determined from preliminary studies. Neurological and psychiatric disease models (such as depression, anxiety, or neurodegeneration models) are used to evaluate efficacy. Behavioral tests are performed to assess the compound's effects on mood, anxiety, and cognitive function. Neuroprotective effects are assessed by histological and biochemical analysis.
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| ADME/Pharmacokinetics |
Sigma-LIGAND-1 HCl has a molecular weight of 360.34 g/mol and formula C19H28Cl2N2O. It is soluble in DMSO and other organic solvents. Recommended storage is powder at -20°C for up to 3 years and in solvent at -80°C for up to 6 months. Detailed PK parameters such as half-life, Cmax, AUC, and bioavailability would require experimental determination.
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| Toxicity/Toxicokinetics |
Sigma-LIGAND-1 HCl is intended for research use only and is not approved for human therapeutic applications. As a sigma-1 receptor ligand, it may affect normal cellular functions, which could contribute to potential side effects. Standard preclinical toxicity assessments would include acute toxicity studies in rodents, repeated-dose toxicity studies, and assessment of off-target effects.
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| References | |
| Additional Infomation |
Sigma-LIGAND-1 HCl (CAS 139652-86-1) is a selective ligand for the sigma-1 receptor. It has a molecular weight of 360.34 g/mol and formula C19H28Cl2N2O. The compound is used in neuropharmacology research to study the role of sigma-1 receptors in neurological and psychiatric disorders. Sigma-LIGAND-1 HCl is not approved for clinical use.
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| Molecular Formula |
C27H33NO4.HCL
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| Molecular Weight |
472.01616
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| Exact Mass |
471.218
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| CAS # |
139652-86-1
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| Related CAS # |
Sigma-LIGAND-1;139652-01-0
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| PubChem CID |
9890958
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| Appearance |
Off-white to light yellow solid powder
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| Boiling Point |
615.5ºC at 760 mmHg
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| Flash Point |
326.1ºC
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| Vapour Pressure |
5.23E-16mmHg at 25°C
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| LogP |
5.904
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
33
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| Complexity |
634
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=C(OC2=C(C1=O)C=C(C=C2)OCCCCCCN3CCC(CC3)O)C4=CC=CC=C4.Cl
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| InChi Key |
GWSBQIZSTCDSLE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C27H33NO4.ClH/c1-20-26(30)24-19-23(11-12-25(24)32-27(20)21-9-5-4-6-10-21)31-18-8-3-2-7-15-28-16-13-22(29)14-17-28;/h4-6,9-12,19,22,29H,2-3,7-8,13-18H2,1H3;1H
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| Chemical Name |
6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-3-methyl-2-phenylchromen-4-one;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 : ~12.5 mg/mL (~26.48 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 | 2.1186 mL | 10.5928 mL | 21.1855 mL | |
| 5 mM | 0.4237 mL | 2.1186 mL | 4.2371 mL | |
| 10 mM | 0.2119 mL | 1.0593 mL | 2.1186 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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