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GRADE & PURITY 10mM in DMSO
Synonyms
AKOS027420931 | 5-[7-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine | UNII-0E8LA9H0RY | GNE-477 | s6516 | EX-A2063 | Q27236667 | BCP07720 | A14114 | BDBM50315907 | SCHEMBL1180950 | 0E8LA9H0R
Shipped In
Dry ice packs + Cold packs
Overview Information
GNE-477 is a potent and efficacious dualPI3K/mTORinhibitor with an IC50 of 4 nM for PI3Kα and Kiappof 21 nM for mTOR.
Targets
PI3Kα (Cell-free assay); mTOR (Cell-free assay); mTOR (Cell-free assay) 4 nM; 21 nM(Ki app); 21 nM(Ki app)
Specifications Synonyms
AKOS027420931 | 5-[7-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3, 2-d]pyrimidin-2-yl]pyrimidin-2-amine | UNII-0E8LA9H0RY | GNE-477 | s6516 | EX-A2063 | Q27236667 | BCP07720 | A14114 | BDBM50315907 | SCHEMBL1180950 | 0E8LA9H0R
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
GNE-477 is a potent and efficacious dual PI3K/mTOR inhibitor with an IC50 of 4 nM for PI3Kα and Kiapp of 21 nM for mTOR.
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)S(=O)(=O)C IUPAC Name 5-[7-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine InChIKey AKKCGLXULFRAET-UHFFFAOYSA-N INCHI 1S/C21H28N8O3S2/c1-14-16(13-27-3-5-29(6-4-27)34(2,30)31)33-18-17(14)25-19(15-11-23-21(22)24-12-15)26-20(18)28-7-9-32-10-8-28/h11-12H,3-10,13H2,1-2H3,(H2,22,23,24) Isomeric SMILES CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)S(=O)(=O)C Molecular Weight 504.63 Reaxy-Rn 18371950 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18371950&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
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Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Diazines Subclass Pyrimidines and pyrimidine derivatives Intermediate Tree Nodes Not available Direct Parent Bipyrimidines and oligopyrimidines Alternative Parents Thienopyrimidines Dialkylarylamines Aminopyrimidines and derivatives Aralkylamines N-alkylpiperazines Organosulfonamides Organic sulfonamides Morpholines Imidolactams Heteroaromatic compounds Sulfonyls Thiophenes Trialkylamines Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Primary amines Molecular Framework Aromatic heteropolycyclic compounds Substituents Bipyrimidine - Thienopyrimidine - Dialkylarylamine - Aminopyrimidine - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Morpholine - Oxazinane - Piperazine - Organic sulfonic acid amide - Organosulfonic acid amide - Imidolactam - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Thiophene - Organic sulfonic acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Azacycle - Oxacycle - Ether - Dialkyl ether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organosulfur compound - Organic oxygen compound - Primary amine - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as bipyrimidines and oligopyrimidines. These are organic compounds containing two or more pyrimidine rings directly linked to each other. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 504.600 g/mol XLogP3 0.300 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 12 Rotatable Bond Count 5 Exact Mass 504.173 Da Monoisotopic Mass 504.173 Da Topological Polar Surface Area 167.000 Ų Heavy Atom Count 34 Formal Charge 0 Complexity 779.000 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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