| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| Other Sizes |
| Targets |
PSEM 89S TFA targets designer receptors (DREADDs) and engineered ion channels, specifically the Q79G and L141F mutations. It is a brain-penetrant and selective agonist for these engineered channels. By binding to these targets, it enables noninvasive, temporally controlled modulation of specific cell populations.
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| ln Vitro |
PSEM 89S (10 or 30μM) stimulates layer 2/3 cortical neurons that express PSAML141F,Y115F-5HT3 high conductance (HC) (Pharmacologically Selective Actuator Module)[1]. Transfected neurons were reversibly silenced by PSEM 89S (10 μM) through a reduction in cellular input resistance [1].
In vitro, PSEM 89S TFA acts as a selective agonist for Q79G and L141F mutant ion channels. Its activity is characterized by its high potency and selectivity for these engineered targets over wild-type channels. It is used in cellular assays to activate these channels and study their downstream signaling in a controlled manner. |
| ln Vivo |
In mice expressing PSAML141F,Y115F-glycine receptor (GlyR) (30 mg/kg), PSEM 89S significantly lowers photostimulation-evoked eating; however, this effect is not observed in mice expressing just channelrhodopsin-2 (ChR2) (50 mg/kg)[1]. 30 mg/kg exhibits good brain penetration in mice following intraperitoneal treatment in a less invasive manner[1].
In vivo, PSEM 89S TFA is used for chemogenetics, a technique to control the activity of specific neurons. Its excellent brain penetrance and water solubility allow for systemic administration (e.g., intraperitoneal injection). It is widely used to study neural circuits, behavior, and brain disorders by enabling temporally controlled modulation of specific cell populations. |
| Enzyme Assay |
Non-cell-based assays for PSEM 89S TFA involve studying its binding to and activation of engineered receptors. Binding affinity can be assessed using radioligand binding. Its selectivity can be confirmed by testing its activity against a panel of wild-type receptors. Functional assays measure its ability to activate the target ion channel, e.g., by measuring ion flux.
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| Cell Assay |
For in vitro cellular assays, cell lines expressing the engineered Q79G or L141F ion channels are used. Cells are treated with PSEM 89S TFA, and its agonist activity is measured by assessing its ability to activate the channel. This is typically done by measuring calcium influx using fluorescent dyes or by electrophysiological recordings.
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| Animal Protocol |
Animal/Disease Models: Male Agrp-cre mice (3-6 weeks)[1]
Doses: 30 mg/kg Route of Administration: Ip administration Experimental Results: Almost completely suppressed fos (a marker of neuron activation) in ChR2-expressing neurons. Animal/Disease Models: C57BL/6 mice[1] Doses: 30 mg/kg (pharmacokinetic/PK Analysis) Route of Administration: Ip administration Experimental Results: Rised rapidly in serum and brain, and was mostly cleared from both compartments in 1 h. In vivo animal studies with PSEM 89S TFA involve administering the compound (e.g., via intraperitoneal injection) to transgenic animals expressing the engineered receptors in specific neuronal populations. The resulting effects on behavior, neuronal activity, or physiology are then measured to study the function of those specific neurons and circuits. |
| ADME/Pharmacokinetics |
PSEM 89S TFA has a molecular weight of 404.38 g/mol and a molecular formula of C18H23F3N2O5. Its CAS number is 1336913-03-1. It is a highly potent and water-soluble chemogenetic tool. It should be stored according to the manufacturer's recommendations, typically at -20°C, and is for research use only.
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| Toxicity/Toxicokinetics |
The toxicity profile of PSEM 89S TFA is not extensively detailed. As a research chemogenetic tool, it is generally considered to have a favorable safety profile at the doses used for in vivo studies. However, standard safety precautions for handling research chemicals should be observed. It is not for human consumption.
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| References | |
| Additional Infomation |
PSEM 89S TFA (CAS#: 1336913-03-1) is a state-of-the-art chemogenetic tool used to control neuronal activity in vivo. Its high potency, water solubility, and brain penetrance make it ideal for systemic administration in animal models. It is a key compound for studying neural circuits, behavior, and brain disorders.
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| Molecular Formula |
C18H23F3N2O5
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| Molecular Weight |
404.380835771561
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| Exact Mass |
404.155
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| CAS # |
1336913-03-1
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| PubChem CID |
134812840
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| Appearance |
Off-white to light yellow solid powder
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
28
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| Complexity |
452
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C(F)(F)(F)C(=O)O.N([C@@H]1CN2CCC1CC2)C(C1C=C(OC)C=CC=1OC)=O
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| InChi Key |
GLKCNNXBIUCCJJ-PFEQFJNWSA-N
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| InChi Code |
InChI=1S/C16H22N2O3.C2HF3O2/c1-20-12-3-4-15(21-2)13(9-12)16(19)17-14-10-18-7-5-11(14)6-8-18;3-2(4,5)1(6)7/h3-4,9,11,14H,5-8,10H2,1-2H3,(H,17,19);(H,6,7)/t14-;/m1./s1
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| Chemical Name |
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2,5-dimethoxybenzamide;2,2,2-trifluoroacetic acid
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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, 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)
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| Solubility (In Vitro) |
DMSO: 100 mg/mL (247.29 mM)
H2O: ≥ 100 mg/mL (247.29 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.18 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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 (6.18 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (6.18 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4729 mL | 12.3646 mL | 24.7292 mL | |
| 5 mM | 0.4946 mL | 2.4729 mL | 4.9458 mL | |
| 10 mM | 0.2473 mL | 1.2365 mL | 2.4729 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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