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HS-173 - 10mM in DMSO, high purity , CAS No.1276110-06-5, Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit alpha
HS-173 is an effective PI3Kα inhibitor (IC50: 0.8 nM).
Basic Description
Synonyms
HS-173 | 1276110-06-5 | Ethyl 6-(5-(phenylsulfonamido)pyridin-3-yl)imidazo[1,2-a]pyridine-3-carboxylate | HS 173 | CHEMBL1765463 | HS173 | 2758X982JL | ethyl 6-(5-benzenesulfonamidopyridin-3-yl)imidazo[1,2-a]pyridine-3-carboxylate | ethyl 6-[5-(benzenesulfonamido)pyridin
Specifications & Purity
Moligand™, 10mM in DMSO
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.
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit alpha
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
Benzenesulfonamides Imidazopyridines Imidazo[1,2-a]pyridines Benzenesulfonyl compounds Carbonylimidazoles Organosulfonamides N-substituted imidazoles Heteroaromatic compounds Aminosulfonyl compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bipyridine - Benzenesulfonamide - Imidazo[1,2-a]pyridine - Benzenesulfonyl group - Imidazopyridine - Imidazole-4-carbonyl group - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Organosulfonic acid amide - Azole - Imidazole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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
ethyl 6-[5-(benzenesulfonamido)pyridin-3-yl]imidazo[1,2-a]pyridine-3-carboxylate
INCHI
InChI=1S/C21H18N4O4S/c1-2-29-21(26)19-13-23-20-9-8-15(14-25(19)20)16-10-17(12-22-11-16)24-30(27,28)18-6-4-3-5-7-18/h3-14,24H,2H2,1H3
InChIKey
SEKOTFCHZNXZMM-UHFFFAOYSA-N
Smiles
CCOC(=O)C1=CN=C2N1C=C(C=C2)C3=CC(=CN=C3)NS(=O)(=O)C4=CC=CC=C4
Isomeric SMILES
CCOC(=O)C1=CN=C2N1C=C(C=C2)C3=CC(=CN=C3)NS(=O)(=O)C4=CC=CC=C4
Molecular Weight
422.46
Reaxy-Rn
21431440
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21431440&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
422.500 g/mol
XLogP3
3.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
7
Exact Mass
422.105 Da
Monoisotopic Mass
422.105 Da
Topological Polar Surface Area
111.000 Ų
Heavy Atom Count
30
Formal Charge
0
Complexity
692.000
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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