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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
Ice chest + Ice pads
Descripción general 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 Sinónimos
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
Especificaciones y pureza
≥98%
Mecanismos bioquímicos y fisiológicos
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.
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores Pubchem Sid 504770016 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504770016 Sonrisas canónicas 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) Isómeros SMILES CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)S(=O)(=O)C Peso molecular 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 Clase 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 Descripción 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.
Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Solubility (25°C) In vitro DMSO: 25 mg/mL (49.54 mM); Water: Insoluble; Ethanol: Insoluble; Peso molecular 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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