| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
GABAA receptor[1]
SJM-3 targets GABAA receptors, acting as a positive allosteric modulator of various isoforms. It binds at the high-affinity benzodiazepine binding site located at the α+/γ- subunit interface. The compound also acts as an antagonist at the benzodiazepine binding site, consistent with its PAM activity. |
|---|---|
| ln Vitro |
SJM-3 binds at the α+/γ-subunit interface's high-affinity benzodiazepine binding site, but it probably uses a different location inside the transmembrane domain to carry out its activity. The displacement of [3H]-Flunitrazepam and [3H]-Ro15-1788 demonstrates the binding affinity of SJM-3 at wild type receptors and yields a Ki of 218±70 nM and 242±38 nM, respectively[1].
In cell-free receptor binding assays, SJM-3 binds to the benzodiazepine site of GABAA receptors with high affinity. The compound demonstrates activity at various GABAA receptor isoforms. Its binding at the α+/γ- subunit interface is characteristic of benzodiazepine-site ligands. Cellular electrophysiology studies demonstrate that SJM-3 acts as a positive allosteric modulator of various GABAA receptor isoforms. The compound enhances GABA-induced currents in cells expressing GABAA receptors. Its activity is mediated through binding at the benzodiazepine site. |
| ln Vivo |
In vivo studies on SJM-3 are limited. As a GABAA receptor PAM, it may have anxiolytic, anticonvulsant, or sedative effects depending on its receptor selectivity. Detailed animal studies have not been extensively reported. The compound is primarily characterized in vitro.
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| Enzyme Assay |
Cell-free receptor binding assays for SJM-3 are performed using membrane preparations from cells expressing various GABAA receptor isoforms. Radioligand displacement studies use [³H]flumazenil or other benzodiazepine site ligands. Membranes are incubated with varying concentrations of SJM-3 and the radioligand, followed by filtration and scintillation counting. Binding affinity is determined from competition curves.
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| Cell Assay |
Cellular electrophysiology experiments for SJM-3 are conducted using patch-clamp recordings from cells expressing recombinant GABAA receptors. SJM-3 is applied at various concentrations, and GABA-induced currents are measured. The compound's PAM activity is assessed by its ability to potentiate GABA-evoked responses. EC50 and efficacy values are determined from concentration-response data.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of SJM-3 have not been extensively reported. As a small-molecule GABAA receptor modulator, it is expected to be capable of crossing the blood-brain barrier. Detailed PK parameters including oral bioavailability, half-life, and tissue distribution require further characterization.
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| Toxicity/Toxicokinetics |
Preclinical toxicity data for SJM-3 are limited. As a GABAA receptor PAM, it may have effects on the central nervous system that require careful dose selection. Comprehensive toxicological studies would be required for therapeutic development.
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| References | |
| Additional Infomation |
SJM-3 is a research tool for studying GABAA receptor pharmacology. Its binding at the benzodiazepine site of various GABAA receptor isoforms makes it valuable for understanding receptor modulation. The compound's dual PAM/antagonist activity at the benzodiazepine site provides unique research applications.
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| Molecular Formula |
C18H15FN4OS
|
|---|---|
| Molecular Weight |
354.40
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| Exact Mass |
354.095
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| CAS # |
1234977-97-9
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| PubChem CID |
49713517
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
568.2±60.0 °C at 760 mmHg
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| Flash Point |
297.4±32.9 °C
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| Vapour Pressure |
0.0±1.6 mmHg at 25°C
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| Index of Refraction |
1.630
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| LogP |
3.01
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
25
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| Complexity |
496
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC1CCC2=C(N1C(=O)C3=CSC(=N3)C4=NC=CN=C4)C=CC(=C2)F
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| InChi Key |
MCMRMBOJJFVNHG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H15FN4OS/c1-11-2-3-12-8-13(19)4-5-16(12)23(11)18(24)15-10-25-17(22-15)14-9-20-6-7-21-14/h4-11H,2-3H2,1H3
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| Chemical Name |
(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
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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: 10 mg/mL (28.22 mM)
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|---|---|
| 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 | 2.8217 mL | 14.1084 mL | 28.2167 mL | |
| 5 mM | 0.5643 mL | 2.8217 mL | 5.6433 mL | |
| 10 mM | 0.2822 mL | 1.4108 mL | 2.8217 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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