| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 100mg | |||
| Other Sizes |
| Targets |
J-113397 targets the ORL1 receptor (also known as NOP receptor or opioid receptor-like 1), which is a member of the opioid receptor family. ORL1 is activated by the endogenous ligand nociceptin/orphanin FQ (N/OFQ) and is involved in pain modulation, anxiety, reward, and other functions. J-113397 is a selective, non-peptidyl antagonist at this receptor.
|
|---|---|
| ln Vitro |
J-113397 (0-500 nM) Blocks the binding of [35S]GTPγS to CHO cells expressing ORL1 (CHO-ORL1) when nociceptin/orphanin FQ is present, but not the binding of [35S]GTPγS itself Impact[1].
J-113397 is a potent ORL1 receptor antagonist with a Ki of 1.8 nM for the cloned human ORL1 receptor. It shows high selectivity for ORL1 over other opioid receptors. The compound has been used to study the role of the nociceptin/ORL1 system in various physiological and pathological processes. |
| ln Vivo |
The nociceptin nociceptin/orphanin FQ produced by intracerebroventricular (icv) injection in the mouse tail-flick test is dose-dependently inhibited by J-113397 (0-30 mg/kg; subcutaneous (sc); once) Hyperalgesia induced [1].
J-113397 inhibits nociceptin/orphanin FQ-induced hyperalgesia in the mouse tail-flick test. In this model, nociceptin induces hyperalgesia (increased pain sensitivity), and J-113397 blocks this effect, confirming its antagonistic activity at ORL1 in vivo. The compound has also been used in other behavioral models to study ORL1 function. |
| Enzyme Assay |
ORL1 receptor binding affinity is assessed using radioligand binding assays with membrane preparations from cells expressing human ORL1. Competitive binding experiments are performed using [³H]-nociceptin or [¹²⁵I]-Tyr¹⁴-nociceptin as radioligands. J-113397 is incubated at various concentrations, and Ki values are calculated from displacement curves. Selectivity profiling against other opioid receptors (μ, δ, κ) is performed to confirm selectivity.
|
| Cell Assay |
Cell Viability Assay [1]
Cell Types: CHO-ORL1 Cell Tested Concentrations: 0, 0.1, 1, 10, 100, 200, 500 nM Incubation Duration: 10 minutes Experimental Results: Inhibition of Nociceptin/Orphanin FQ Stimulated [35S] Guanosine 5'-O-(γ-thio)triphosphate (GTPγS) binds to Chinese hamster ovary (CHO) cells expressing ORL1 (CHO-ORL1) with an IC50 value of 5.3 nM, but not to [35S]GTPγS itself. The combination has no effect. ORL1 receptor antagonism is assessed in cell-based functional assays. Cells expressing human ORL1 are treated with nociceptin in the presence or absence of J-113397. Receptor activation is measured by assessing inhibition of forskolin-stimulated cAMP accumulation (ORL1 is coupled to Gi/o and inhibits adenylyl cyclase). J-113397's ability to block nociceptin-induced cAMP inhibition is measured, and IC50 or Kb values are calculated. |
| Animal Protocol |
Animal/Disease Models: Male ICR mouse (15–25 g) [1]
Doses: 0, 3, 10, 30 mg/kg Route of Administration: subcutaneous injection, after injecting 0.1 nmol nociceptin/sol. Results of the first 10 minutes of orphanin FQ: In the tail-flick test of mice, intracerebroventricular (icv) administration of nociceptin/orphanin FQ dose-dependently inhibited hyperalgesia. J-113397 is administered to mice to evaluate its effects on nociceptin-induced hyperalgesia. In the tail-flick test, mice are treated with J-113397 (typically intraperitoneally or intracerebroventricularly) prior to nociceptin administration. Tail-flick latency (response to a thermal stimulus) is measured. Nociceptin reduces tail-flick latency (hyperalgesia), and J-113397 blocks this effect. Other behavioral assays (e.g., hot plate, formalin test) can also be used. |
| ADME/Pharmacokinetics |
J-113397 has a molecular weight of 399.57 and molecular formula C24H37N3O2. The IUPAC name is 1-[(3R,4R)-1-(cyclooctylmethyl)-3-(hydroxymethyl)piperidin-4-yl]-3-ethylbenzimidazol-2-one. The compound is soluble in DMSO. J-113397 is a potent and selective non-peptidyl ORL1 receptor antagonist and is used as a research tool in neuroscience.
|
| Toxicity/Toxicokinetics |
Preclinical toxicity studies of J-113397 have not been extensively reported. As an ORL1 receptor antagonist, the compound is expected to have a relatively benign safety profile based on the physiological roles of the nociceptin/ORL1 system. In animal studies, J-113397 has been used at various doses without significant adverse effects reported. Standard safety precautions should be followed when handling the compound.
|
| References | |
| Additional Infomation |
J-113397 (CAS#: 256640-45-6) is the first potent and selective non-peptidyl ORL1 receptor antagonist with a Ki of 1.8 nM. It is also known as CompB. J-113397 inhibits nociceptin/orphanin FQ-induced hyperalgesia in the mouse tail-flick test. The compound is a valuable research tool for studying the nociceptin/ORL1 system in pain modulation, anxiety, addiction, and other physiological processes. It is intended for research use only.
|
| Molecular Formula |
C24H37N3O2
|
|---|---|
| Molecular Weight |
399.569486379623
|
| Exact Mass |
399.288
|
| CAS # |
256640-45-6
|
| Related CAS # |
(±)-J-113397;217461-40-0;(S,S)-J-113397;256640-46-7
|
| PubChem CID |
5311194
|
| Appearance |
White to off-white solid powder
|
| LogP |
4.6
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
29
|
| Complexity |
534
|
| Defined Atom Stereocenter Count |
2
|
| SMILES |
CCN1C2=CC=CC=C2N(C1=O)C3CCN(CC3CO)CC4CCCCCCC4
|
| InChi Key |
MBGVUMXBUGIIBQ-LEWJYISDSA-N
|
| 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
|
| Chemical Name |
1-[(3R,4R)-1-(cyclooctylmethyl)-3-(hydroxymethyl)piperidin-4-yl]-3-ethylbenzimidazol-2-one
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| 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
|
|---|---|
| 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 | 2.5027 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
