ML-252 hydrochloride

CAT: 0931-T85299-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T85299-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2309887-61-2

Target

Others, Cytochromes P450, Potassium Channel

Related Pathways

Metabolism, Membrane transporter/Ion channel, Others

Bioactivity

ML-252 is a potent, selective inhibitor of the Kv7.2 voltage-gated potassium channel, demonstrating an IC50 value of 69 nM in patch clamp assays. It exists as the (S) -enantiomer, which is significantly more effective than both its (R) -enantiomer counterpart and the racemic mixture, with respective IC50 values of 944 nM and 160 nM. ML-252 exhibits high selectivity for Kv7.2 over other potassium channel subtypes and shows minimal activity against more than 68 G protein-coupled receptors, various transporters, L- and N-type calcium channels, K_ATP, and hERG potassium channels. However, it does inhibit the melatonin MT1 receptor by 61% at a 10 μM concentration.

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

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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