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Lig4-4

CAT: 0013-GTR19208698-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208698-02Size:50 mg
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Description
Lig4-4 is a potent TREK-1 channel inhibitor (IC50 = 2.06 μM) with demonstrated neuroprotective properties in models of cerebral ischemia. Its mechanism involves modulating apoptosis-related proteins Bcl-2 and cleaved-caspase-3, making it a valuable research tool for studying ischemic injury and neuronal cell death in both in vitro and in vivo settings.
CAS Number
3598-68-3
Field of Research
Epigenetics & Chromatin
Smiles
[O-][N+] (=O) CC1OC (=O) C2=CC=CC=C12
Molecular Formula
C9H7NO4
Molecular Weight
193.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(Nitromethyl)-2-benzofuran-1(3H)-one
CAS Number3598-68-3
PubChem CID251502
IUPAC Name3-(nitromethyl)-3H-2-benzofuran-1-one
Molecular FormulaC9H7NO4
Molecular Weight193.16
XLogP0.8
Topological Polar Surface Area72.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity260
SMILES
C1=CC=C2C(=C1)C(OC2=O)C[N+](=O)[O-]
InChI
InChI=1S/C9H7NO4/c11-9-7-4-2-1-3-6(7)8(14-9)5-10(12)13/h1-4,8H,5H2
InChIKey
UMCCJTPPLWDHLK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Nitromethyl)-2-benzofuran-1(3H)-one
CAS: 3598-68-3
CID: 251502
Formula: C9H7NO4
MW: 193.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight193.16
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass193.03750770
Monoisotopic Mass193.03750770
Topological Polar Surface Area72.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity260
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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