ML252 hydrochloride
ML252 hydrochloride is a selective inhibitor of KCNQ2 (Kv7.2) channel with 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 hydrochloride 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 hydrochloride shows highly brain penetrant.
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- CAS No.: 2309887-61-2
- 화학식: C20H25ClN2O
- 분자량:344.88
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보관:
-20°C, sealed storage, away from moisture
* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)
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Biological Activity
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Chemical Information
- 순도&문서
- References
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Help & FAQs
Biological Activity
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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) |
CYP3A4 3.9 μM (IC50) |
CYP2D6 19.9 μM (IC50) |
ML252 (1 μM; 0-48 h) hydrochloride 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) hydrochloride 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) hydrochloride has no acute toxicity to CHO cells[1].
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. 2309887-61-2
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Appearance Solid
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분자량 344.88
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화학식 C20H25ClN2O
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Color White to off-white
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SMILES
CC[C@@H](C1=CC=CC=C1)C(NC2=CC=CC=C2N3CCCC3)=O.Cl
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선적
Room temperature in continental US; may vary elsewhere.
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보관
-20°C, sealed storage, away from moisture
* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)
순도&문서
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Data Sheet (275 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)
References
[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]
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
ML252 hydrochloride Related Classifications
HY-18063A Related Classifications
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