| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg | |||
| Other Sizes |
| Targets |
The primary target is the nociceptin receptor (NOP/ORL1), a member of the opioid receptor family. It acts as a potent and selective non‑peptide agonist with an EC50 of 305 nM and a Ki of 7.3 nM, showing approximately 12‑fold selectivity over other receptors.
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| ln Vitro |
In vitro, NNC63‑0532 is a potent agonist at the NOP receptor, stimulating GTPγS binding significantly above basal levels. At 5 μM, it inhibits epileptiform activity induced by picrotoxin in the entorhinal cortex.
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| ln Vivo |
In vivo, it is centrally active following systemic administration. It produces a concentration‑dependent inhibition of electrically induced twitches, suggesting potential in modulating pain pathways and investigating the nociceptin system in disorders.
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| Enzyme Assay |
In vitro binding assays involve radioligand competition studies to measure affinity for the NOP receptor, yielding a Ki of 7.3 nM. Functional GTPγS binding assays confirm its agonist activity.
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| Cell Assay |
In vitro cellular assays are conducted in cell lines expressing the NOP receptor to evaluate functional agonist activity, measuring receptor activation and downstream signaling. The compound's potency is determined by an EC50 of 305 nM.
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| Animal Protocol |
In vivo animal studies would be conducted to study effects on pain, addiction, and other NOP‑related pathways. Systemic administration allows investigation of behavioral and physiological effects to elucidate therapeutic potential.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties include a molecular weight of 443.54 and formula C27H29N3O3. Soluble in ethanol (5 mM) and DMSO (50 mM). Powder can be stored at room temperature. CAS 250685‑44‑0.
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| Toxicity/Toxicokinetics |
Toxicological information is derived from research use. As a NOP agonist, potential on‑target effects include modulation of pain perception and reward pathways. Comprehensive toxicology studies would be required for therapeutic development.
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| References | |
| Additional Infomation |
NNC63‑0532 is a potent, non‑peptide agonist for the nociceptin receptor with EC50 305 nM and Ki 7.3 nM, showing ~12‑fold selectivity. It is a valuable tool for researching pain, addiction, and other disorders. Not approved for clinical use.
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| Molecular Formula |
C27H29N3O3
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|---|---|
| Molecular Weight |
443.53746
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| Exact Mass |
443.221
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| CAS # |
250685-44-0
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| PubChem CID |
9803475
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| Appearance |
White to off-white solid powder
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| Density |
1.28g/cm3
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| Boiling Point |
645.8ºC at 760mmHg
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| Flash Point |
344.4ºC
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| Vapour Pressure |
1.44E-16mmHg at 25°C
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| Index of Refraction |
1.675
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| LogP |
3.594
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
33
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| Complexity |
699
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(OC)CN1CN(C2=CC=CC=C2)C3(CCN(CC4=C5C=CC=CC5=CC=C4)CC3)C1=O
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| InChi Key |
AQMPIDSGLFVVPL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C27H29N3O3/c1-33-25(31)19-29-20-30(23-11-3-2-4-12-23)27(26(29)32)14-16-28(17-15-27)18-22-10-7-9-21-8-5-6-13-24(21)22/h2-13H,14-20H2,1H3
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| Chemical Name |
methyl 2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
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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 |
| 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: ~200 mg/mL (~450.9 mM; with ultrasonication and warming by heating to 80°C)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 5 mg/mL (11.27 mM) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution; with ultrasonication and warming and heat to 80°C.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (50.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 5 mg/mL (11.27 mM) 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; with ultrasonication and warming and heat to 80°C. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (50.0 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 3: 5 mg/mL (11.27 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), Clear solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (50.0 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 | 2.2546 mL | 11.2729 mL | 22.5459 mL | |
| 5 mM | 0.4509 mL | 2.2546 mL | 4.5092 mL | |
| 10 mM | 0.2255 mL | 1.1273 mL | 2.2546 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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