ML252

Modify Date: 2024-04-03 10:32:00

ML252 Structure
ML252 structure
Common Name ML252
CAS Number 1392494-64-2 Molecular Weight 308.41700
Density N/A Boiling Point N/A
Molecular Formula C20H24N2O Melting Point N/A
MSDS USA Flash Point N/A

 Use of ML252


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].

 Names

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

 ML252 Biological Activity

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
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.  

 Chemical & Physical Properties

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

 Safety Information

RIDADR NONH for all modes of transport
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