| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 100mg | |||
| Other Sizes |
| Targets |
AT-121 targets both the μ-opioid receptor and the nociceptin receptor as a partial agonist. It has Ki values of 16.49 nM for the μ-opioid receptor and 3.67 nM for the nociceptin receptor. By activating both receptors, AT-121 produces potent analgesic effects while avoiding the typical opioid side effects such as addiction, respiratory depression, and constipation. Its bifunctional mechanism allows for synergistic pain relief through complementary pathways, making it a promising research tool for developing safer analgesics.
|
|---|---|
| ln Vitro |
In vitro, AT-121 stimulates [35S]GTPγS binding to cell membranes expressing μ-opioid or nociceptin receptors with EC50s of 19.6 and 34.7 nM, respectively. As a dual μ-opioid and nociceptin receptor partial agonist with Ki values of 16.49 nM and 3.67 nM, it activates both receptor-mediated signaling pathways. The compound's bifunctional mechanism distinguishes it from traditional opioids that only target the μ-opioid receptor. Detailed in vitro characterization data are available in the primary literature.
|
| ln Vivo |
AT-121 has a strong antinociceptive effect (0.003-0.03 mg/kg; sc)[1].
In vivo, AT-121 (0.003-0.03 mg/kg) reduces capsaicin-induced thermal allodynia in a dose-dependent manner without increasing scratching activity in rhesus monkeys. In rhesus monkey drug self-administration tests (0.3-10 μg/kg/injection), it lacks reinforcing effects (a potential abuse marker) and does not reduce food pellet reinforcement. AT-121 (0.01 or 0.03 mg/kg) does not induce hyperalgesia, a marker of tolerance development, in rhesus monkeys. It is a safe, non-addictive analgesic. |
| Enzyme Assay |
For μ-opioid and nociceptin receptor binding assays, membrane preparations from cells expressing recombinant μ-opioid or nociceptin receptors are incubated with radiolabeled ligands and varying concentrations of AT-121. 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 (16.49 nM for μ-opioid, 3.67 nM for nociceptin) are calculated. For functional assays, [35S]-GTPγS binding is measured (EC50s 19.6 and 34.7 nM).
|
| Cell Assay |
For in vitro cellular assays, cell lines expressing μ-opioid or nociceptin receptors (e.g., CHO or HEK293 cells) are cultured in appropriate media under standard conditions (37°C, 5% CO2). AT-121 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 [35S]-GTPγS binding or downstream signaling (e.g., cAMP inhibition). Cell viability and cytotoxicity can be assessed using standard assays. Each concentration is tested in replicate wells with vehicle controls and positive controls.
|
| 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 is typically formulated in suitable vehicles and administered via subcutaneous (s.c.) injection. In rhesus monkeys, doses of 0.003-0.03 mg/kg reduce capsaicin-induced thermal allodynia. Drug self-administration studies use doses of 0.3-10 μg/kg/injection. For pharmacokinetic studies, blood samples are collected at predetermined time points post-administration. All procedures must follow institutional animal care and use committee guidelines. |
| ADME/Pharmacokinetics |
Pharmacokinetic properties of AT-121 are characteristic of a small-molecule bifunctional opioid agonist. The compound has a molecular weight of 462.65, formula C24H38N4O3S, and CAS number 2099681-31-7. Purity: 99.97%. Appearance: white to yellow solid. 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. 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 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 is a dual μ-opioid and nociceptin receptor partial agonist with Ki values of 16.49 nM (MOP) and 3.67 nM (NOP). It is a safe, non-addictive analgesic with antinociceptive and antiallodynic effects. In rhesus monkeys, 0.003-0.03 mg/kg s.c. reduces thermal allodynia without reinforcing effects. It has a molecular weight of 462.65 and formula C24H38N4O3S. It is for research use only with no regulatory approvals reported.
|
| Molecular Formula |
C24H38N4O3S
|
|---|---|
| Molecular Weight |
462.65
|
| Exact Mass |
462.266
|
| CAS # |
2099681-31-7
|
| Related CAS # |
AT-121 hydrochloride; 2099681-71-5
|
| PubChem CID |
129188444
|
| Appearance |
Colorless to light yellow liquid
|
| LogP |
2.6
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
32
|
| Complexity |
750
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC(C)C1CCC(CC1)N2CCC3(CC2)C4=CC=CC=C4CN(C3=O)CCNS(=O)(=O)N
|
| InChi Key |
LIZMNXKYQXVRSS-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C24H38N4O3S/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)
|
| Chemical Name |
3-oxo-1'-(4-propan-2-ylcyclohexyl)-2-[2-(sulfamoylamino)ethyl]spiro[1H-isoquinoline-4,4'-piperidine]
|
| 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) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.40 mM) (saturation unknown) 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.
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 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: ≥ 2.5 mg/mL (5.40 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 3: ≥ 2.5 mg/mL (5.40 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 | 2.1615 mL | 10.8073 mL | 21.6146 mL | |
| 5 mM | 0.4323 mL | 2.1615 mL | 4.3229 mL | |
| 10 mM | 0.2161 mL | 1.0807 mL | 2.1615 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
