NMD670

CAT: 0957-E4665-04Size: 1 gDry Ice: NoHazardous: No

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CAT#:0957-E4665-04Size:1 g

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Description

NMD670 is a first-in-class small molecule inhibitor of skeletal muscle-specific chloride channel (ClC-1) with an EC50 of 1.6 μM. It improves muscle weakness and fatigue in neuromuscular diseases and may serve as a potential therapeutic approach for Myasthenia Gravis (MG) .

CAS Number

2354321-33-6

Target

Chloride Channel

Activity

Transmembrane Transporters

Molecular Formula

C12H10BrNO4

Chemical Information

(S)-2-(4-Bromo-2-(isoxazol-3-yl)phenoxy)propanoic acid

CAS Number	2354321-33-6
PubChem CID	138684045
IUPAC Name	(2S)-2-[4-bromo-2-(1,2-oxazol-3-yl)phenoxy]propanoic acid
Molecular Formula	C12H10BrNO4
Molecular Weight	312.12
XLogP	2.7
Topological Polar Surface Area	72.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	302

SMILES

C[C@@H](C(=O)O)OC1=C(C=C(C=C1)Br)C2=NOC=C2

InChI

InChI=1S/C12H10BrNO4/c1-7(12(15)16)18-11-3-2-8(13)6-9(11)10-4-5-17-14-10/h2-7H,1H3,(H,15,16)/t7-/m0/s1

InChIKey

XKXLEZCOELWNMB-ZETCQYMHSA-N

Chemical Structure

2D Structure

CAS: 2354321-33-6

CID: 138684045

Formula: C12H10BrNO4

MW: 312.12

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	312.12
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	310.97932
Monoisotopic Mass	310.97932
Topological Polar Surface Area	72.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	302
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	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
BA6631-1	NMD670

NMD670

Chemical Information

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