| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
(±)-J-113397 targets the ORL1 receptor (opioid receptor-like 1, also known as NOP), which is involved in pain modulation, anxiety, and other physiological processes. It is a potent and selective non-peptidyl ORL1 receptor antagonist with a Ki of 1.8 nM.
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| ln Vitro |
In vitro, (±)-J-113397 is a potent and selective ORL1 receptor antagonist with a Ki of 1.8 nM for the cloned human ORL1 receptor. It inhibits nociceptin/orphanin FQ-stimulated GTPγS binding to CHO cells expressing ORL1 with an IC₅₀ of 5.3 nM.
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| ln Vivo |
In vivo, (±)-J-113397 can be used for researching the physiological roles of nociceptin/orphanin FQ. As an ORL1 antagonist, it may modulate pain, anxiety, and other nociceptin-mediated effects. Detailed in vivo data regarding dosage and administration routes are limited.
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| Enzyme Assay |
(±)-J-113397's ORL1 receptor binding affinity can be characterized using radioligand binding assays. The compound has a Ki of 1.8 nM for the cloned human ORL1 receptor. Functional assays measure the inhibition of nociceptin/orphanin FQ-stimulated GTPγS binding with an IC₅₀ of 5.3 nM.
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| Cell Assay |
In vitro cell experiments with (±)-J-113397 use CHO cells expressing the ORL1 receptor. Cells are treated with the compound, and receptor activity is measured using GTPγS binding assays. The compound inhibits nociceptin/orphanin FQ-stimulated GTPγS binding with an IC₅₀ of 5.3 nM.
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| Animal Protocol |
In vivo animal studies with (±)-J-113397 have been conducted to study the physiological roles of nociceptin/orphanin FQ. The compound is typically administered via injection. Detailed protocols regarding dosage, treatment duration, and specific animal models are not extensively reported.
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| ADME/Pharmacokinetics |
Pharmacokinetic data specific to (±)-J-113397 are limited in the available literature. As a small molecule with a molecular weight of 399.58, the compound is expected to have reasonable bioavailability. The compound is stored desiccated at room temperature.
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| Toxicity/Toxicokinetics |
(±)-J-113397 is considered safe for research use at typical concentrations. As a research compound, it is intended for laboratory use only and not for human consumption. The compound should be handled under standard laboratory safety practices with appropriate precautions.
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| References | |
| Additional Infomation |
(±)-J-113397 is a potent and selective non-peptidyl ORL1 receptor antagonist with a Ki of 1.8 nM for the cloned human ORL1 receptor. It inhibits nociceptin/orphanin FQ-stimulated GTPγS binding with an IC₅₀ of 5.3 nM. It has a CAS number of 217461-40-0.
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| Molecular Formula |
C24H37N3O2
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|---|---|
| Molecular Weight |
399.57
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| Exact Mass |
798.577
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| CAS # |
217461-40-0
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| Related CAS # |
J-113397;256640-45-6;(S,S)-J-113397;256640-46-7
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| PubChem CID |
5311194
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| Appearance |
Off-white to pink solid powder
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| LogP |
4.6
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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 |
5
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| Heavy Atom Count |
29
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| Complexity |
534
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| Defined Atom Stereocenter Count |
2
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| SMILES |
CCN1C2=CC=CC=C2N(C1=O)[C@@H]3CCN(C[C@H]3CO)CC4CCCCCCC4
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| InChi Key |
MBGVUMXBUGIIBQ-LEWJYISDSA-N
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| InChi Code |
InChI=1S/C24H37N3O2/c1-2-26-22-12-8-9-13-23(22)27(24(26)29)21-14-15-25(17-20(21)18-28)16-19-10-6-4-3-5-7-11-19/h8-9,12-13,19-21,28H,2-7,10-11,14-18H2,1H3/t20-,21+/m0/s1
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| Chemical Name |
1-[(3R,4R)-1-(cyclooctylmethyl)-3-(hydroxymethyl)piperidin-4-yl]-3-ethylbenzimidazol-2-one
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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) |
DMSO : ≥ 300 mg/mL (~750.81 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.26 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 DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (6.26 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5027 mL | 12.5135 mL | 25.0269 mL | |
| 5 mM | 0.5005 mL | 2.5027 mL | 5.0054 mL | |
| 10 mM | 0.2503 mL | 1.2513 mL | 2.5027 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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