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GNE-140 racemate

CAT: 0957-E8199Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0957-E8199Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GNE-140 racemate is a racemate mixture of (R) -GNE-140 and (S) -GNE-140 and a potent and specific inhibitor of Lactate dehydrogenase A (LDH-A) . It reduces breast cancer cell proliferation, motility, and invasion, making it a potential candidate for cancer research.
CAS Number
1802977-61-2
Target
Dehydrogenase
Activity
Metabolism
Molecular Formula
C25H23ClN2O3S2

Chemical Information

GNE-140 racemate
CAS Number1802977-61-2
PubChem CID118384725
IUPAC Name3-(2-chlorophenyl)sulfanyl-6-(4-morpholin-4-ylphenyl)-6-thiophen-3-ylpiperidine-2,4-dione
Molecular FormulaC25H23ClN2O3S2
Molecular Weight499.0
XLogP4.6
Topological Polar Surface Area112
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity714
SMILES
C1COCCN1C2=CC=C(C=C2)C3(CC(=O)C(C(=O)N3)SC4=CC=CC=C4Cl)C5=CSC=C5
InChI
InChI=1S/C25H23ClN2O3S2/c26-20-3-1-2-4-22(20)33-23-21(29)15-25(27-24(23)30,18-9-14-32-16-18)17-5-7-19(8-6-17)28-10-12-31-13-11-28/h1-9,14,16,23H,10-13,15H2,(H,27,30)
InChIKey
GLDDJXYFHWRGPI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of GNE-140 racemate
CAS: 1802977-61-2
CID: 118384725
Formula: C25H23ClN2O3S2
MW: 499.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight499.0
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass498.0838626
Monoisotopic Mass498.0838626
Topological Polar Surface Area112 Ų
Heavy Atom Count33
Formal Charge0
Complexity714
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T13450L-01GNE-140 racemate
HY-100742-01GNE-140 (racemate)
HY-100742RGNE-140 (racemate) (Standard)
A12274-100GNE-140 racemate 100mg
A12274-50GNE-140 racemate 50mg
A12274-5GNE-140 racemate 5mg
A12274-10GNE-140 racemate 10mg
A12274-1GNE-140 racemate 1mg
GTR19198468-01GNE-140
BG166816GNE 140

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