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(R) -GNE-140

CAT: 0957-S6675-1gSize: 1 gDry Ice: NoHazardous: No
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CAT#:0957-S6675-1gSize:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2003234-63-5
Target
Dehydrogenase
Applications
Metabolism
Smiles
C1COCCN1C2=CC=C (C=C2) C3 (CC (=C (C (=O) N3) SC4=CC=CC=C4Cl) O) C5=CSC=C5
Molecular Formula
C25H23ClN2O3S2
Additionnal Information
(R) -GNE-140 is an inhibitory agent for LDHA, LDHB, and LDHC, with IC50 values ​​of 3 nM and 5 nM for LDHA and LDHB, respectively. (R) -GNE-140 is 18 times more potent than its S isomer.
Storage Conditions
3 years -20°C powder

Chemical Information

(R)-3-((2-chlorophenyl)thio)-4-hydroxy-6-(4-morpholinophenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one
CAS Number2003234-63-5
PubChem CID121225870
IUPAC Name(2R)-5-(2-chlorophenyl)sulfanyl-4-hydroxy-2-(4-morpholin-4-ylphenyl)-2-thiophen-3-yl-1,3-dihydropyridin-6-one
Molecular FormulaC25H23ClN2O3S2
Molecular Weight499.0
XLogP4.8
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity739
SMILES
C1COCCN1C2=CC=C(C=C2)[C@]3(CC(=C(C(=O)N3)SC4=CC=CC=C4Cl)O)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/h1-9,14,16,29H,10-13,15H2,(H,27,30)/t25-/m1/s1
InChIKey
SUFXXEIVBZJOAP-RUZDIDTESA-N
Chemical Structure
2D Structure
2D structure of (R)-3-((2-chlorophenyl)thio)-4-hydroxy-6-(4-morpholinophenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one
CAS: 2003234-63-5
CID: 121225870
Formula: C25H23ClN2O3S2
MW: 499.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight499.0
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass498.0838626
Monoisotopic Mass498.0838626
Topological Polar Surface Area115 Ų
Heavy Atom Count33
Formal Charge0
Complexity739
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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