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GSK2837808A (Standard)

CAT: 0804-HY-100681RSize: 1 EachDry Ice: NoHazardous: No
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Description
GSK2837808A (Standard) is the analytical standard of GSK2837808A. This product is intended for research and analytical applications. GSK2837808A is a potent and selective lactate dehydrogenase A (LDHA) inhibitor with IC50s of 2.6 and 43 nM for hLDHA and hLDHB, respectively.
CAS Number
1445879-21-9
Target
Lactate Dehydrogenase; Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Cancer
Smiles
O=C(O)C1=CC(OC2=CC(F)=CC(F)=C2)=CC(NC3=C(S(=O)(NC4CC4)=O)C=NC5=CC(C6=CN=C(OC)N=C6OC)=CC=C35)=C1
Molecular Formula
C31H25F2N5O7S
Molecular Weight
649.62
References & Citations
[1]Billiard J, et al. Quinoline 3-sulfonamides inhibit lactate dehydrogenase A and reverse aerobic glycolysis in cancer cells. Cancer Metab. 2013 Sep 6;1 (1) :19.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

3-((3-(N-Cyclopropylsulfamoyl)-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl)amino)-5-(3,5-difluorophenoxy)benzoic acid
CAS Number1445879-21-9
PubChem CID71533725
IUPAC Name3-[[3-(cyclopropylsulfamoyl)-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl]amino]-5-(3,5-difluorophenoxy)benzoic acid
Molecular FormulaC31H25F2N5O7S
Molecular Weight649.6
XLogP5.6
Topological Polar Surface Area170
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count11
Heavy Atom Count46
Formal Charge0
Complexity1140
SMILES
COC1=NC(=NC=C1C2=CC3=NC=C(C(=C3C=C2)NC4=CC(=CC(=C4)C(=O)O)OC5=CC(=CC(=C5)F)F)S(=O)(=O)NC6CC6)OC
InChI
InChI=1S/C31H25F2N5O7S/c1-43-29-25(14-35-31(37-29)44-2)16-3-6-24-26(9-16)34-15-27(46(41,42)38-20-4-5-20)28(24)36-21-7-17(30(39)40)8-22(13-21)45-23-11-18(32)10-19(33)12-23/h3,6-15,20,38H,4-5H2,1-2H3,(H,34,36)(H,39,40)
InChIKey
RZBCPMYJIARMGV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-((3-(N-Cyclopropylsulfamoyl)-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl)amino)-5-(3,5-difluorophenoxy)benzoic acid
CAS: 1445879-21-9
CID: 71533725
Formula: C31H25F2N5O7S
MW: 649.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight649.6
XLogP35.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count11
Exact Mass649.14427565
Monoisotopic Mass649.14427565
Topological Polar Surface Area170 Ų
Heavy Atom Count46
Formal Charge0
Complexity1140
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T15435-01GSK2837808A
A20321-5GSK2837808A 5mg
A20321-1GSK2837808A 1mg
A20321-100GSK2837808A 100mg
A20321-25GSK2837808A 25mg
A20321-10GSK2837808A 10mg
A20321-50GSK2837808A 50mg
A20321-2GSK2837808A 2mg
A20321-10mM-DGSK2837808A 10mM * 1mL in DMSO
abx098969-01Standard

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