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GSK8814 - ≥99.0%, high purity , CAS No.1997369-78-4
Basic Description
Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
GSK8814 is a potent, selective, and ATAD2/2B bromodomain chemical probe and inhibitor, with a binding constant pK d =8.1 and a pK i =8.9 in BROMOscan. GSK8814 binds to ATAD2 and BRD4 BD1 with pIC 50 s of 7.3 and 4.6, respectively. GSK8814 shows 500-fold s
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
GSK8814 is a potent, selective, and ATAD2/2B bromodomain chemical probe and inhibitor, with a binding constant pK d =8.1 and a pK i =8.9 in BROMOscan. GSK8814 binds to ATAD2 and BRD4 BD1 with pIC 50 s of 7.3 and 4.6, respectively. GSK8814 shows 500-fold selectivity for ATAD2 over BRD4 BD1
Form:Solid
IC50& Target:ATAD2 8.9 (pKi) ATAD2 8 nM (Ki) BRD4 BD1 4.6 (pIC 50 )
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Bipyridines and oligopyridines
Intermediate Tree Nodes
Not available
Direct Parent
Bipyridines and oligopyridines
Alternative Parents
Naphthyridines Secondary alkylarylamines Pyridinones Methylpyridines Cyclohexyl halides Aminopyridines and derivatives Piperidines Imidolactams Heteroaromatic compounds Lactams Dialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bipyridine - Diazanaphthalene - Naphthyridine - Cyclohexyl halide - Methylpyridine - Secondary aliphatic/aromatic amine - Pyridinone - Aminopyridine - Imidolactam - Piperidine - Heteroaromatic compound - Lactam - Azacycle - Secondary amine - Ether - Secondary aliphatic amine - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
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
8-[[(3R,4R,5S)-3-[(4,4-difluorocyclohexyl)methoxy]-5-methoxypiperidin-4-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1H-1,7-naphthyridin-2-one
INCHI
InChI=1S/C28H35F2N5O3/c1-16-8-19(11-31-10-16)21-12-33-26(24-20(21)9-17(2)27(36)35-24)34-25-22(37-3)13-32-14-23(25)38-15-18-4-6-28(29,30)7-5-18/h8-12,18,22-23,25,32H,4-7,13-15H2,1-3H3,(H,33,34)(H,35,36)/t22-,23+,25+/m0/s1
InChIKey
YDPMMWAOCCOULO-JBRSBNLGSA-N
Smiles
CC1=CC(=CN=C1)C2=CN=C(C3=C2C=C(C(=O)N3)C)NC4C(CNCC4OCC5CCC(CC5)(F)F)OC
Isomeric SMILES
CC1=CC(=CN=C1)C2=CN=C(C3=C2C=C(C(=O)N3)C)N[C@@H]4[C@H](CNC[C@H]4OCC5CCC(CC5)(F)F)OC
PubChem CID
121499171
Molecular Weight
527.61
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
DMSO : 100 mg/mL (189.53 mM; Need ultrasonic)
Molecular Weight
527.600 g/mol
XLogP3
3.300
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
9
Rotatable Bond Count
7
Exact Mass
527.271 Da
Monoisotopic Mass
527.271 Da
Topological Polar Surface Area
97.400 Ų
Heavy Atom Count
38
Formal Charge
0
Complexity
850.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
3
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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