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(R) -GNE-140

CAT: 0804-HY-100742A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-100742A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(R) -GNE-140 is a potent lactate dehydrogenase A (LDHA) inhibitor, with IC50s of 3 nM and 5 nM for LDHA and LDHB, respectively; (R) -GNE-140 is 18-fold more potent than S enantiomer.
CAS Number
2003234-63-5
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Lactate Dehydrogenase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/_R_-GNE-140.html
Concentration
10mM
Purity
99.77
Solubility
DMSO : ≥ 50 mg/mL
Smiles
O=C1N[C@@](C2=CSC=C2)(C3=CC=C(N4CCOCC4)C=C3)CC(O)=C1SC5=CC=CC=C5Cl
Molecular Formula
C25H23ClN2O3S2
Molecular Weight
499.04
Precautions
H302, H315, H319, H335
References & Citations
[1]Purkey HE, et al. Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice. ACS Med Chem Lett. 2016 Aug 26;7 (10) :896-901.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
LDHA; LDHB

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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