DC Chemicals Limited
China
Product Name: ML252
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Purity: 98.0%
Stocking Period: 3 Day
Contact: Tony Cao

1392494-64-2

1392494-64-2 structure

Name: ML252
Chemical Name: (S)-2-phenyl-N-(2-(pyrrolidin-1-yl)phenyl)butanamide
CAS Number: 1392494-64-2
Molecular Formula: C₂₀H₂₄N₂O
Molecular Weight: 308.41700
Catalog: Signaling Pathways Membrane Transporter/Ion Channel Potassium Channel
Create Date: 2018-06-02 20:04:32
Modify Date: 2024-04-03 10:32:00
ML252 is a selective inhibitor of potassium channel, targeting to KCNQ2 channel (Kv7.2) (IC50=69 nM). 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[1][2].

Name	(S)-2-phenyl-N-(2-(pyrrolidin-1-yl)phenyl)butanamide

Description	ML252 is a selective inhibitor of potassium channel, targeting to KCNQ2 channel (Kv7.2) (IC50=69 nM). 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[1][2].
Related Catalog	Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450 Research Areas >> Neurological Disease Signaling Pathways >> Membrane Transporter/Ion Channel >> Potassium Channel
Target	CYP1A2:6.1 μM (IC50) CYP2C9:18.9 μM (IC50) CYP2D6:19.9 μM (IC50) CYP3A4:3.9 μM (IC50)
In Vitro	ML252 (1 μM；0-48 h) 在大鼠肝脏小体中的内在清除率和随后预测的肝脏清除率分别为 1720 mL/min/kg 和 67.3 mL/min/kg[1]。 ML252 (0.1-0 μM) 在 0.3 μM 开始抑制 CHO-KCNQ2 细胞系的 KCNQ2 电流，在 1 μM 时，完全抑制电流[1]。 ML252 (30 μM; 48 h) 对 CHO 细胞无急性毒性[1]。
In Vivo	ML252 具有不适合口服的代谢稳定性[2]。 ML252 (10 mg/kg，3 mg/mL；腹腔注射；单剂量；1 h 后测定) 在大鼠模型中的 B:P 比值为1.9，大脑绝对水平为 672 nM[1]。
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–. [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.

Molecular Formula	C₂₀H₂₄N₂O
Molecular Weight	308.41700
Exact Mass	308.18900
PSA	32.34000
LogP	4.55710

RIDADR	NONH for all modes of transport

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