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GSK 2837808A - 10mM in DMSO, high purity , CAS No.1445879-21-9
Potent and selective LDHA inhibitor
Basic Description
Synonyms
3-[[3-[(Cyclopropylamino)sulfonyl]-7-(2,4-dimethoxy-5-pyrimidinyl)-4-quinolinyl]amino]-5-(3,5-difluorophenoxy)benzoic acid
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
Potent and selective lactate dehydrogenase A and B (LDHA and LDHB) inhibitor (IC50values are 2.6 and 43 nM for LDHA and LDHB respectively). Inhibits lactate production in selected cancer cell lines. Reduces glucose uptake and enhances mitochondrial oxygen
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Product description
GSK2837808A is a potent and selective lactate dehydrogenase A (LDHA) inhibitor with IC50s of 2.6 and 43 nM for hLDHA and hLDHB, respectively.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Quinoline-3-sulfonamides
Intermediate Tree Nodes
Not available
Direct Parent
Quinoline-3-sulfonamides
Alternative Parents
Diphenylethers Phenylpyrimidines 4-aminoquinolines Diarylethers Pyridinesulfonamides Aminobenzoic acids Benzoic acids Aniline and substituted anilines Phenoxy compounds Benzoyl derivatives Phenol ethers Fluorobenzenes Alkyl aryl ethers Aminopyridines and derivatives Organosulfonamides Primary aromatic amines Aryl fluorides Aminosulfonyl compounds Heteroaromatic compounds Amino acids Carboxylic acids Azacyclic compounds Secondary amines Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinoline-3-sulfonamide - Diphenylether - 5-phenylpyrimidine - Aminoquinoline - 4-aminoquinoline - Diaryl ether - Aminobenzoic acid - Aminobenzoic acid or derivatives - Pyridine-3-sulfonamide - Benzoic acid or derivatives - Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aminopyridine - Alkyl aryl ether - Organosulfonic acid amide - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Benzenoid - Pyrimidine - Pyridine - Primary aromatic amine - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Amino acid or derivatives - Amino acid - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Azacycle - Ether - Amine - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinoline-3-sulfonamides. These are quinolines in which the quinoline ring system is substituted by one sulfonamide group at the 3-position.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
3-[[3-(cyclopropylsulfamoyl)-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl]amino]-5-(3,5-difluorophenoxy)benzoic acid
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
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
Isomeric 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
Molecular Weight
649.62
Reaxy-Rn
23754927
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23754927&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
649.600 g/mol
XLogP3
5.600
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
14
Rotatable Bond Count
11
Exact Mass
649.144 Da
Monoisotopic Mass
649.144 Da
Topological Polar Surface Area
170.000 Ų
Heavy Atom Count
46
Formal Charge
0
Complexity
1140.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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