ML380
Based on 1 publication(s) in Google Scholar
ML380 is a potent, subtype-selective, and brain-penetrant positive allosteric modulator (PAM) of M5 mAChR, with EC50s of 190 and 610 nM for human and rat M5, respectively. ML380 exhibits moderate selectivity versus the M1 and M3 mAChR subtypes. ML380 could increase the affinity of ACh for the M5 mAChR.
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- Pureté: 99.87%
- CAS No.: 1627138-52-6
- Formule: C23H25F3N4O3S
- Masse moléculaire:494.53
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Stockage:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
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Activité biologique
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Chemical Information
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Solvant et solubilité
- Pureté et documentation
- Références
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Help & FAQs
Publications Citing Use of MedChemExpress (MCE) ML380
More
Activité biologique
IC50: 190 nM (hM5), 610 nM (rM5)[1]
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| CHO | EC50 |
>30 μM
Compound: 8n
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Activity at human muscarinic acetylcholine receptor subtype 2 expressed in CHO cells co-transfected with chimeric Gqi5 by calcium mobilization assay
Activity at human muscarinic acetylcholine receptor subtype 2 expressed in CHO cells co-transfected with chimeric Gqi5 by calcium mobilization assay
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[PMID: 25147929] |
| CHO | EC50 |
>30 μM
Compound: 8n
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Activity at human muscarinic acetylcholine receptor subtype 4 expressed in CHO cells co-transfected with chimeric Gqi5 by calcium mobilization assay
Activity at human muscarinic acetylcholine receptor subtype 4 expressed in CHO cells co-transfected with chimeric Gqi5 by calcium mobilization assay
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[PMID: 25147929] |
| CHO | EC50 |
>30 μM
Compound: 8n
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Activity at rat muscarinic acetylcholine receptor subtype 2 expressed in CHO cells co-transfected with chimeric Gqi5 by calcium mobilization assay
Activity at rat muscarinic acetylcholine receptor subtype 2 expressed in CHO cells co-transfected with chimeric Gqi5 by calcium mobilization assay
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[PMID: 25147929] |
| CHO | EC50 |
>30 μM
Compound: 8n
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Activity at rat muscarinic acetylcholine receptor subtype 4 expressed in CHO cells co-transfected with chimeric Gqi5 by calcium mobilization assay
Activity at rat muscarinic acetylcholine receptor subtype 4 expressed in CHO cells co-transfected with chimeric Gqi5 by calcium mobilization assay
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[PMID: 25147929] |
| CHO | EC50 |
0.19 μM
Compound: 8n
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Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay
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[PMID: 25147929] |
| CHO | EC50 |
0.61 μM
Compound: 8n
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Activity at rat muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay
Activity at rat muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay
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[PMID: 25147929] |
| CHO | EC50 |
2 μM
Compound: 8n
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Activity at rat muscarinic acetylcholine receptor subtype 1 expressed in CHO cells by calcium mobilization assay
Activity at rat muscarinic acetylcholine receptor subtype 1 expressed in CHO cells by calcium mobilization assay
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[PMID: 25147929] |
| CHO | EC50 |
2.1 μM
Compound: 8n
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Activity at human muscarinic acetylcholine receptor subtype 3 expressed in CHO cells by calcium mobilization assay
Activity at human muscarinic acetylcholine receptor subtype 3 expressed in CHO cells by calcium mobilization assay
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[PMID: 25147929] |
| CHO | EC50 |
3.1 μM
Compound: 8n
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Activity at rat muscarinic acetylcholine receptor subtype 3 expressed in CHO cells by calcium mobilization assay
Activity at rat muscarinic acetylcholine receptor subtype 3 expressed in CHO cells by calcium mobilization assay
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[PMID: 25147929] |
| CHO | EC50 |
5.4 μM
Compound: 8n
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Activity at human muscarinic acetylcholine receptor subtype 1 expressed in CHO cells by calcium mobilization assay
Activity at human muscarinic acetylcholine receptor subtype 1 expressed in CHO cells by calcium mobilization assay
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[PMID: 25147929] |
ML380 (0.01 nM-100 μM) robustly stimulates inositol phosphate (IP) accumulation and Ca2+ mobilization in CHO-hM5 cells, with pEC50s of 5.33 and 5.71, respectively[2].
ML380 (0.01-30 μM) increases the ACh-stimulated IP accumulation and Ca2+ mobilization in CHO-hM5 cells[2].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS No. 1627138-52-6
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Appearance Solid
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Masse moléculaire 494.53
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Formule C23H25F3N4O3S
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Color White to off-white
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SMILES
O=C(C1CCN(S(=O)(C2=CC3=C(NN=C3)C=C2)=O)CC1)N(CC)CC4=CC=CC=C4C(F)(F)F
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Livraison
Room temperature in continental US; may vary elsewhere.
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Stockage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Publications (1)
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Journal Impact Factor
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Most Recent
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Mol Oncol
Repositioning VU-0365114 as a novel microtubule-destabilizing agent for treating cancer and overcoming drug resistance. [Abstract]2024 Feb;18(2):386-414. PMID: 37842807
Solvant et solubilité
DMSO : 100 mg/mL (202.21 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Select the appropriate dissolution method based on your experimental animal and administration route.
- For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
- To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
- The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.5 mg/mL (5.06 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (5.06 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%Saline +
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Working solution concentration: 0.22 mg/mL
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL.
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Pureté et documentation
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Fiche technique (274 KB)
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SDS (251 KB)
- English - EN (251 KB)
- Français - FR (251 KB)
- Deutsch - DE (251 KB)
- Norwegian - NO (251 KB)
- Español - ES (251 KB)
- Swedish - SV (251 KB)
- Italian - IT (251 KB)
- Korean - KR (251 KB)
- Portuguese - PT (251 KB)
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Instruction de manipulation (2659 KB)
Références
[1]. Gentry PR, et, al. Development of a highly potent, novel M5 positive allosteric modulator (PAM) demonstrating CNS exposure: 1-((1H-indazol-5-yl)sulfoneyl)-N-ethyl-N-(2-(trifluoromethyl)benzyl)piperidine-4-carboxamide (ML380). J Med Chem. 2014 Sep 25;57(18 [Content Brief]
[2]. Berizzi AE, et, al. Molecular Mechanisms of Action of M5 Muscarinic Acetylcholine Receptor Allosteric Modulators. Mol Pharmacol. 2016 Oct;90(4):427-36. [Content Brief]
[3]. Berizzi AE, et, al. Structure-Activity Relationships of Pan-Gα q/11 Coupled Muscarinic Acetylcholine Receptor Positive Allosteric Modulators. ACS Chem Neurosci. 2018 Jul 18;9(7):1818-1828. [Content Brief]
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 2.0221 mL | 10.1106 mL | 20.2212 mL | 50.5531 mL |
| 5 mM | 0.4044 mL | 2.0221 mL | 4.0442 mL | 10.1106 mL | |
| 10 mM | 0.2022 mL | 1.0111 mL | 2.0221 mL | 5.0553 mL | |
| 15 mM | 0.1348 mL | 0.6740 mL | 1.3481 mL | 3.3702 mL | |
| 20 mM | 0.1011 mL | 0.5055 mL | 1.0111 mL | 2.5277 mL | |
| 25 mM | 0.0809 mL | 0.4044 mL | 0.8088 mL | 2.0221 mL | |
| 30 mM | 0.0674 mL | 0.3370 mL | 0.6740 mL | 1.6851 mL | |
| 40 mM | 0.0506 mL | 0.2528 mL | 0.5055 mL | 1.2638 mL | |
| 50 mM | 0.0404 mL | 0.2022 mL | 0.4044 mL | 1.0111 mL | |
| 60 mM | 0.0337 mL | 0.1685 mL | 0.3370 mL | 0.8426 mL | |
| 80 mM | 0.0253 mL | 0.1264 mL | 0.2528 mL | 0.6319 mL | |
| 100 mM | 0.0202 mL | 0.1011 mL | 0.2022 mL | 0.5055 mL |
ML380 Related Classifications
HY-12439 Related Classifications
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