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| 1mg |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| Other Sizes |
| Targets |
ML397 targets group III metabotropic glutamate receptors, specifically mGlu4, mGlu7, and mGlu8. These receptors are G protein-coupled receptors that play important roles in modulating synaptic transmission and neuronal excitability in the central nervous system. As a positive allosteric modulator, ML397 enhances the activity of these receptors.
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| ln Vitro |
ML397 is a positive allosteric modulator with differential activity at group III mGlu receptors. It has IC50 values of 3.43, 1.5, and 0.93 μM for mGlu8, mGlu7, and mGlu4, respectively. This indicates that it is most potent at mGlu4 and least potent at mGlu8. The compound modulates the activity of these receptors without directly activating them.
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| ln Vivo |
In vivo activity data for ML397 is limited. As a positive allosteric modulator of group III mGlu receptors, it is expected to have effects on synaptic transmission and neuronal excitability. The compound is used as a research tool to study the role of group III mGlu receptors in various neurological and psychiatric disorders.
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| Enzyme Assay |
ML397 is evaluated in cell-free receptor binding assays to determine its affinity for group III mGlu receptors. Radioligand binding displacement assays are performed using membrane preparations expressing mGlu receptor subtypes. Competition binding experiments are conducted with increasing concentrations of ML397 and a fixed concentration of a labeled reference ligand.
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| Cell Assay |
ML397 is assessed in cell-based functional assays to measure its modulatory activity at group III mGlu receptors. Cells expressing mGlu4, mGlu7, or mGlu8 are treated with ML397, and receptor activity is measured by assessing downstream signaling pathways, such as calcium mobilization or GTPγS binding. IC50 values are determined.
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| Animal Protocol |
ML397 is administered in animal models to evaluate its effects on group III mGlu receptor-mediated functions. It has been studied in models of neurological and psychiatric disorders. However, specific animal study protocols are not extensively documented. The compound is typically formulated for in vivo administration using DMSO or other suitable vehicles.
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| ADME/Pharmacokinetics |
ML397 has a molecular weight of 436.52 and a molecular formula of C24H24N2O4S. It has a CAS number of 731006-86-3. The compound is soluble in DMSO. It should be stored as a powder at -20°C for long-term stability. In vivo, it may be formulated using common vehicles.
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| Toxicity/Toxicokinetics |
No detailed toxicity data is available for ML397. The compound is for research use only and is not intended for human therapeutic use. Its safety profile has not been extensively characterized in the available literature.
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| References | |
| Additional Infomation |
Positive allosteric regulator of metabolic glutamate receptor 7; structure described in the first article.
ML397 is a novel and potent positive allosteric modulator of group III mGlu receptors. It is also known as VU0155094. The compound has a CAS number of 731006-86-3. It is used as a research tool to study the role of group III mGlu receptors in synaptic transmission, neuronal excitability, and various neurological and psychiatric disorders. It is not approved for clinical use. |
| Molecular Formula |
C24H24N2O4S
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|---|---|
| Molecular Weight |
436.526
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| Exact Mass |
436.145
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| CAS # |
731006-86-3
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| PubChem CID |
4043841
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| Appearance |
White to light yellow solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
667.0±55.0 °C at 760 mmHg
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| Flash Point |
357.2±31.5 °C
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| Vapour Pressure |
0.0±2.0 mmHg at 25°C
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| Index of Refraction |
1.606
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| LogP |
4.87
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
31
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| Complexity |
642
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CSC3=CC=C(C=C3)NC(=O)C
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| InChi Key |
BCNKQXDDMIBITO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C24H24N2O4S/c1-15-13-22(16(2)26(15)20-9-5-18(6-10-20)24(29)30-4)23(28)14-31-21-11-7-19(8-12-21)25-17(3)27/h5-13H,14H2,1-4H3,(H,25,27)
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| Chemical Name |
methyl 4-[3-[2-(4-acetamidophenyl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]benzoate
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| Synonyms |
ML 397 ML-397 ML397VU-0155094VU0155094
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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) |
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
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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 | 2.2908 mL | 11.4540 mL | 22.9079 mL | |
| 5 mM | 0.4582 mL | 2.2908 mL | 4.5816 mL | |
| 10 mM | 0.2291 mL | 1.1454 mL | 2.2908 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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