| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| 250mg | |||
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| Other Sizes |
| Targets |
ML380 targets the M5 muscarinic acetylcholine receptor (M5 mAChR). It is a positive allosteric modulator, which means it binds to a site distinct from the orthosteric (acetylcholine) site and enhances the receptor's response to ACh.
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| ln Vitro |
In CHO-hM5 cells, ML380 (0.01 nM-100 μM) significantly increases the accumulation of inositol phosphate (IP) and Ca2+ mobilization, with pEC50 values of 5.33 and 5.71, respectively [2]. ML380 (0.01-30 μM) stimulates IP accumulation and Ca2+ mobilization in CHO-hM5 cells in response to ACh [2].
In vitro, ML380 is a potent M5 PAM, with EC50 values of 190 nM for the human M5 receptor and 610 nM for the rat M5 receptor. It shows moderate selectivity over M1 and M3 mAChR subtypes. |
| ln Vivo |
In rats, ML380 (1 mg/kg; iv) has a short half-life (t1/2, 22 min), a moderate volume of distribution (1.6 L/kg), and a high clearance (66 mL/min/kg). 1].
In vivo, ML380 is brain-penetrant and crosses the blood-brain barrier (BBB). This makes it a valuable tool for studying the role of the M5 receptor in the central nervous system. |
| Enzyme Assay |
The assay for M5 PAM activity is a functional cell-based assay. Cells expressing the M5 receptor are loaded with a calcium-sensitive dye. The cells are treated with a sub-maximal concentration of ACh and varying concentrations of ML380. The potentiation of the calcium response is measured to determine the EC50.
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| Cell Assay |
Cells expressing the human or rat M5 receptor are cultured in standard media. They are loaded with a calcium-sensitive dye. The cells are then stimulated with a sub-maximal concentration of ACh in the presence of ML380. The increase in intracellular calcium is measured using a fluorescence plate reader.
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| Animal Protocol |
In vivo, ML380 would be administered to animal models to study its effects on behaviors and physiological processes mediated by the M5 receptor. Its brain-penetrant properties allow for central administration or systemic dosing.
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| ADME/Pharmacokinetics |
ML380 has a molecular weight of 494.53 g/mol and a molecular formula of C23H25F3N4O3S. It is a brain-penetrant compound.
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| Toxicity/Toxicokinetics |
Specific toxicity data for ML380 is not detailed in the search results.
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| References |
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| Additional Infomation |
ML380 is a research tool used to study the function of the M5 muscarinic acetylcholine receptor in the brain. It is not a pharmaceutical drug. Its development aids in understanding the role of this receptor in neurological and psychiatric disorders.
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| Molecular Formula |
C23H25F3N4O3S
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|---|---|
| Molecular Weight |
494.53
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| Exact Mass |
494.159
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| CAS # |
1627138-52-6
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| PubChem CID |
71737672
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| Appearance |
White to off-white solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
661.2±65.0 °C at 760 mmHg
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| Flash Point |
353.7±34.3 °C
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| Vapour Pressure |
0.0±2.0 mmHg at 25°C
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| Index of Refraction |
1.601
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| LogP |
3.52
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
34
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| Complexity |
811
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCN(CC1=CC=CC=C1C(F)(F)F)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NN=C4
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| InChi Key |
FJPQEOQGIZSLES-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H25F3N4O3S/c1-2-29(15-17-5-3-4-6-20(17)23(24,25)26)22(31)16-9-11-30(12-10-16)34(32,33)19-7-8-21-18(13-19)14-27-28-21/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,27,28)
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| Chemical Name |
N-ethyl-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
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| Synonyms |
ML-380; ML 380; ML380
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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 : ~100 mg/mL (~202.21 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.06 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 (5.06 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 (5.06 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 | 2.0221 mL | 10.1106 mL | 20.2212 mL | |
| 5 mM | 0.4044 mL | 2.0221 mL | 4.0442 mL | |
| 10 mM | 0.2022 mL | 1.0111 mL | 2.0221 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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