ML252
Based on 1 Customer Validation
ML252 is a selective inhibitor of KCNQ2 (Kv7.2) channel with an IC50s of 69 nM, 2.92 μM, 0.12 μM and 0.20 μM for KCNQ2, KCNQ1 (Kv7.1), KCNQ2/Q3 and KCNQ4, respectively. ML252 also inhibits Cytochrome P450 with IC50s of 6.1 nM (CYP1A2), 18.9 nM (CYP2C9), 3.9 nM (CYP3A4), 19.9 nM (CYP2D6), respectively. ML252 shows highly brain penetrant .
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- Reinheit : 99.9%
- CAS. Nr.: 1392494-64-2
- Formel: C20H24N2O
- Molecular Weight:308.42
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Speicherung:
-20°C, protect from light, stored under nitrogen
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen)
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Biologische Aktivität
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Chemical Information
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Lösungsmittel & Löslichkeit
- Reinheit & Dokumentation
- Verweise
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Help & FAQs
Biologische Aktivität
Beschreibung
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KCNQ2 69 nM (IC50) |
KCNQ1 2.92 μM (IC50) |
KCNQ2/Q3 0.12 μM (IC50) |
KCNQ4 0.20 μM (IC50) |
CYP1A2 6.1 μM (IC50) |
CYP2C9 18.9 μM (IC50) |
CYP2D6 19.9 μM (IC50) |
CYP3A4 3.9 μM (IC50) |
Cellular Effect
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| CHO | IC50 |
0.07 μM
Compound: (S)-5, ML252
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Antagonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay
Antagonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay
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[PMID: 22793372] |
| CHO | IC50 |
0.12 μM
Compound: (S)-5, ML252
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Antagonist activity at KCNQ2/Q3 expressed in CHO cells incubated for 3 mins by automated patch clamp assay
Antagonist activity at KCNQ2/Q3 expressed in CHO cells incubated for 3 mins by automated patch clamp assay
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[PMID: 22793372] |
| CHO | IC50 |
0.2 μM
Compound: (S)-5, ML252
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Antagonist activity at KCNQ4 expressed in CHO cells incubated for 3 mins by automated patch clamp assay
Antagonist activity at KCNQ4 expressed in CHO cells incubated for 3 mins by automated patch clamp assay
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[PMID: 22793372] |
| CHO | IC50 |
2.92 μM
Compound: (S)-5, ML252
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Antagonist activity at KCNQ1 expressed in CHO cells incubated for 3 mins by automated patch clamp assay
Antagonist activity at KCNQ1 expressed in CHO cells incubated for 3 mins by automated patch clamp assay
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[PMID: 22793372] |
| CHO | IC50 |
8.12 μM
Compound: (S)-5, ML252
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Antagonist activity at KCNQ1/E1 expressed in CHO cells incubated for 3 mins by automated patch clamp assay
Antagonist activity at KCNQ1/E1 expressed in CHO cells incubated for 3 mins by automated patch clamp assay
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[PMID: 22793372] |
In Vitro
ML252 (1 μM; 0-48 h) shows an intrinsic clearance and subsequent predicted hepativ clearance of 1720 mL/min/kd and 67.3 mL/min/kg, respectively, in rat hepatic microsomes[1].
ML252 (0.1-10 μM) inhibits the current of KCNQ2 at 0.3 μM, and completely inhibits the current at 1 μM in CHO-KCNQ2 cell line[1].
ML252 (30 μM; 48 h) has no acute toxicity to CHO cells[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only. .
In Vivo
ML252 (10 mg/kg, 3 mg/mL; ip; single dose; measured at 1 hr after) shows a highly brain penetrant with a B:P ratio of 1.9 and absolute brain levels of 672 nM in rat model[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS. Nr. 1392494-64-2
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Appearance Solid
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Molecular Weight 308.42
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Formel C20H24N2O
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Color White to off-white
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SMILES
O=C(NC1=CC=CC=C1N2CCCC2)[C@H](C3=CC=CC=C3)CC
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Versand
Room temperature in continental US; may vary elsewhere.
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Speicherung
-20°C, protect from light, stored under nitrogen
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen)
Lösungsmittel & Löslichkeit
In Vitro:
DMSO : 100 mg/mL (324.23 mM; Need ultrasonic and warming; 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 (protect from light, stored under nitrogen). 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 (protect from light, stored under nitrogen). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Konzentration (Stammlösung) × Volumen (Stammlösung) = Konzentration (Ziellösung) × Volumen (Ziellösung)
In Vivo:
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 (8.11 mM); Suspended solution
This protocol yields a suspended solution of ≥ 2.5 mg/mL (saturation unknown). Suspended solution can be used for oral and intraperitoneal injection.
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 (8.11 mM); Suspended solution
This protocol yields a suspended solution of ≥ 2.5 mg/mL (saturation unknown). Suspended solution can be used for oral and intraperitoneal injection.
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.
In Vivo Dissolution Calculator
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. * In solvent : -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen)
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.
Reinheit & Dokumentation
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Data Sheet (279 KB)
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SDS (252 KB)
- English - EN (252 KB)
- Français - FR (252 KB)
- Deutsch - DE (252 KB)
- Norwegian - NO (252 KB)
- Español - ES (252 KB)
- Swedish - SV (252 KB)
- Italian - IT (252 KB)
- Korean - KR (252 KB)
- Portuguese - PT (252 KB)
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Handling Instructions (2659 KB)
Verweise
[1]. Yu H, et al. Identification of a novel, small molecule inhibitor of KCNQ2 channels. 2011 Oct 28 [updated 2013 Feb 25]. In: Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010–. [Content Brief]
[2]. Cheung YY, et al. Discovery of a series of 2-phenyl-N-(2-(pyrrolidin-1-yl)phenyl)acetamides as novel molecular switches that modulate modes of K(v)7.2 (KCNQ2) channel pharmacology: identification of (S)-2-phenyl-N-(2-(pyrrolidin-1-yl)phenyl)butanamide (ML252) as a potent, brain penetrant K(v)7.2 channel inhibitor. J Med Chem. 2012 Aug 9;55(15):6975-9. [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 (protect from light, stored under nitrogen). 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 | 3.2423 mL | 16.2117 mL | 32.4233 mL | 81.0583 mL |
| 5 mM | 0.6485 mL | 3.2423 mL | 6.4847 mL | 16.2117 mL | |
| 10 mM | 0.3242 mL | 1.6212 mL | 3.2423 mL | 8.1058 mL | |
| 15 mM | 0.2162 mL | 1.0808 mL | 2.1616 mL | 5.4039 mL | |
| 20 mM | 0.1621 mL | 0.8106 mL | 1.6212 mL | 4.0529 mL | |
| 25 mM | 0.1297 mL | 0.6485 mL | 1.2969 mL | 3.2423 mL | |
| 30 mM | 0.1081 mL | 0.5404 mL | 1.0808 mL | 2.7019 mL | |
| 40 mM | 0.0811 mL | 0.4053 mL | 0.8106 mL | 2.0265 mL | |
| 50 mM | 0.0648 mL | 0.3242 mL | 0.6485 mL | 1.6212 mL | |
| 60 mM | 0.0540 mL | 0.2702 mL | 0.5404 mL | 1.3510 mL | |
| 80 mM | 0.0405 mL | 0.2026 mL | 0.4053 mL | 1.0132 mL | |
| 100 mM | 0.0324 mL | 0.1621 mL | 0.3242 mL | 0.8106 mL |
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