ML-252 hydrochloride

CAT: 0013-GTR19232137-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19232137-01Size:1 mg

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Description

ML-252 is a potent and selective (S) -enantiomer inhibitor of the Kv7.2 potassium channel (IC50 = 69 nM) . It is a valuable research tool for studying Kv7.2 function in neuronal excitability and has been utilized in both in vitro electrophysiology and in vivo models of pain and epilepsy.

CAS Number

2309887-61-2

Field of Research

Metabolism Research, Pharmacology & Drug Discovery

Smiles

N (C ([C@@H] (CC) C1=CC=CC=C1) =O) C2=C (C=CC=C2) N3CCCC3.Cl

Molecular Formula

C20H24N2O?HCl

Molecular Weight

344.9

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

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

CAS Number	2309887-61-2
PubChem CID	53393831
IUPAC Name	(2S)-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)butanamide;hydrochloride
Molecular Formula	C20H25ClN2O
Molecular Weight	344.9
Topological Polar Surface Area	32.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	372

SMILES

CC[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=CC=C2N3CCCC3.Cl

InChI

InChI=1S/C20H24N2O.ClH/c1-2-17(16-10-4-3-5-11-16)20(23)21-18-12-6-7-13-19(18)22-14-8-9-15-22;/h3-7,10-13,17H,2,8-9,14-15H2,1H3,(H,21,23);1H/t17-;/m0./s1

InChIKey

XBYCQOZNTLUEDX-LMOVPXPDSA-N

Chemical Structure

2D Structure

CAS: 2309887-61-2

CID: 53393831

Formula: C20H25ClN2O

MW: 344.9

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	344.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	344.1655411
Monoisotopic Mass	344.1655411
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	372
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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ML-252 hydrochloride

Chemical Information

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