| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| Other Sizes |
| Targets |
AT-121 hydrochloride targets both the nociceptin/orphanin FQ (NOP) receptor and the mu opioid receptor (MOR) as a bifunctional agonist. It has Ki values of 3.67 nM for the NOP receptor and 16.49 nM for the MOR. By activating both receptors, AT-121 produces potent analgesia while avoiding the typical opioid side effects such as addiction, respiratory depression, and constipation. The compound's bifunctional mechanism allows for synergistic pain relief through complementary pathways, making it a promising research tool for developing safer analgesics.
|
|---|---|
| ln Vitro |
In vitro studies demonstrate that AT-121 hydrochloride is a bifunctional agonist at the nociceptin and mu opioid receptors, with Ki values of 3.67 and 16.49 nM, respectively. This dual receptor activation produces potent antinociceptive effects. The compound's ability to activate both NOP and MOR receptors distinguishes it from traditional opioids that only target MOR. In vitro characterization includes receptor binding assays and functional assays measuring downstream signaling. The compound's safety profile, including its non-addictive properties, has been demonstrated in preclinical studies.
|
| ln Vivo |
AT-121 hydrochloride has a strong antinociceptive effect (0.003-0.03 mg/kg; sc)[1].
In vivo studies of AT-121 hydrochloride have demonstrated potent antinociceptive effects in animal models. In adult male and female rhesus monkeys, subcutaneous administration at doses of 0.003-0.03 mg/kg produced dose-dependent antinociceptive effects against an acute noxious stimulus of 50°C water. The compound has been shown to be analgesic without opioid side effects in nonhuman primates. Its bifunctional mechanism provides pain relief while avoiding addiction and other side effects associated with traditional opioids. Further studies are ongoing to characterize its full in vivo profile. |
| Enzyme Assay |
For receptor binding assays, membrane preparations from cells expressing recombinant NOP or MOR receptors are incubated with radiolabeled ligands and varying concentrations of AT-121 hydrochloride. Non-specific binding is determined using excess unlabeled reference compounds. Following incubation at appropriate temperature (typically 25°C for 60-90 minutes), bound and free radioligands are separated by rapid filtration through glass fiber filters. Filters are washed and radioactivity counted by liquid scintillation. Ki values are calculated from competition curves using the Cheng-Prusoff equation. For functional assays, G protein activation is measured by [35S]-GTPγS binding. Assays are performed in triplicate with appropriate vehicle controls.
|
| Cell Assay |
For in vitro cellular assays, cell lines expressing NOP or MOR receptors (e.g., CHO or HEK293 cells) are cultured in appropriate media under standard conditions (37°C, 5% CO2). AT-121 hydrochloride is dissolved in DMSO and diluted in culture medium to desired concentrations. Cells are treated with compound for specified durations. Receptor activation is assessed by measuring downstream signaling (e.g., cAMP inhibition, calcium flux, or ERK phosphorylation). Cell viability and cytotoxicity can be assessed using standard assays. Each concentration is tested in replicate wells with vehicle controls and positive controls (e.g., nociceptin for NOP, DAMGO for MOR).
|
| Animal Protocol |
Animal/Disease Models: Adult male and female rhesus monkeys[1]
Doses: 0.003-0.03 mg/kg Route of Administration: subcutaneous (sc) Experimental Results: Produced antinociceptive effects against an acute noxious stimulus, 50 °C water, in a dose-dependent. For in vivo animal studies, AT-121 hydrochloride is typically formulated in suitable vehicles and administered via subcutaneous (s.c.) injection. In studies with rhesus monkeys, doses of 0.003-0.03 mg/kg were administered subcutaneously. Antinociceptive effects were assessed using a 50°C water stimulus. For pharmacokinetic studies, blood samples are collected at predetermined time points post-administration, and drug concentrations are quantified by LC-MS/MS. All procedures must follow institutional animal care and use committee guidelines. |
| ADME/Pharmacokinetics |
Pharmacokinetic properties of AT-121 hydrochloride are characteristic of a small-molecule bifunctional opioid agonist. The compound has a molecular weight of 499.11 and formula C24H39ClN4O3S. CAS number: 2099681-71-5. Storage: powder at -20°C for 3 years or 4°C for 2 years; in solvent at -80°C for 6 months or -20°C for 1 month. Solubility: may dissolve in DMSO; if not, try H2O, ethanol, or DMF. Specific pharmacokinetic parameters such as half-life, clearance, and bioavailability are reported in the primary literature.
|
| Toxicity/Toxicokinetics |
According to available safety information, AT-121 hydrochloride is intended for research purposes only and is not for human use. Standard laboratory safety precautions should be followed when handling this compound, including the use of appropriate personal protective equipment (gloves, lab coat, safety goggles). The compound should be handled in a well-ventilated area. Avoid dust formation and inhalation. In case of skin contact, wash with plenty of soap and water. In case of eye contact, rinse cautiously with water for several minutes. No clinical toxicity data are available. Preclinical studies indicate a favorable safety profile with no addiction potential.
|
| References | |
| Additional Infomation |
AT-121 hydrochloride is a bifunctional nociceptin and mu opioid receptor agonist with Ki values of 3.67 and 16.49 nM, respectively. It is a safe, non-addictive analgesic that produces potent antinociceptive and antiallodynic effects. In rhesus monkeys, subcutaneous administration at 0.003-0.03 mg/kg produced dose-dependent antinociception. The compound's bifunctional mechanism provides analgesia without opioid side effects. It is for research use only with no regulatory approvals reported.
|
| Molecular Formula |
C24H39CLN4O3S
|
|---|---|
| Molecular Weight |
499.11
|
| Exact Mass |
498.243
|
| CAS # |
2099681-71-5
|
| PubChem CID |
146681180
|
| Appearance |
Typically exists as solid at room temperature
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
33
|
| Complexity |
750
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC(C)C1CCC(CC1)N2CCC3(CC2)C4=CC=CC=C4CN(C3=O)CCNS(=O)(=O)N.Cl
|
| InChi Key |
IWVSTMZJPKIJPG-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C24H38N4O3S.ClH/c1-18(2)19-7-9-21(10-8-19)27-14-11-24(12-15-27)22-6-4-3-5-20(22)17-28(23(24)29)16-13-26-32(25,30)31;/h3-6,18-19,21,26H,7-17H2,1-2H3,(H2,25,30,31);1H
|
| Chemical Name |
3-oxo-1'-(4-propan-2-ylcyclohexyl)-2-[2-(sulfamoylamino)ethyl]spiro[1H-isoquinoline-4,4'-piperidine];hydrochloride
|
| 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 |
| 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 | 2.0036 mL | 10.0178 mL | 20.0357 mL | |
| 5 mM | 0.4007 mL | 2.0036 mL | 4.0071 mL | |
| 10 mM | 0.2004 mL | 1.0018 mL | 2.0036 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
