Dactolisib Tosylate
Grundinformationen
- CAS
1028385-32-1- Standard-SMILES
Cc1ccc(S(=O)(=O)O)cc1.Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21- InChIKey
FWURTHAUPVXZHW-UHFFFAOYSA-N- Summenformel
- C37H31N5O4S
- Durchschnittliche Molmasse
- 641,7 g/mol
- Monoisotopische Masse
- 641,20967566
Überblick
Dactolisib Tosylate is the tosylate salt form of dactolisib, an orally bioavailable imidazoquinoline targeting the phosphatidylinositol 3 kinase (PI3K) and the mammalian target of rapamycin (mTOR), with potential antineoplastic activity. Upon administration, dactolisib inhibits PI3K kinase and mTOR kinase in the PI3K/AKT/mTOR kinase signaling pathway, which may result in tumor cell apoptosis and growth inhibition in PI3K/mTOR-overexpressing tumor cells. Activation of the PI3K/mTOR pathway promotes cell growth, survival, and resistance to chemotherapy and radiotherapy. mTOR, a serine/threonine kinase downstream of PI3K, may also be activated independent of PI3K.
Namen und Bezeichner
- Bevorzugter Name
- Dactolisib Tosylate
- IUPAC
- 4-methylbenzenesulfonic acid;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
- Englischer Name
- BEZ235 (Tosylate)
- Summenformel
- C37H31N5O4S
- Molmasse
- 641.75
Namen und Synonyme
Dactolisib Tosylate1028385-32-1Dactolisib tosilateNVP-BEZ235-ANADactolisib tosylate [USAN]UNII-U54GT9151SU54GT9151SDactolisib tosylate (USAN)NVP-BEZ235-NXDTXSID90145535DACTOLISIB TOSILATE [WHO-DD]2-Methyl-2-(4-(3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydroimidazo(4,5-c)quinolin-1-yl)phenyl)propanenitrile 4-methylbenzenesulfonate
Weitere Namen anzeigen
NVP-BEZ 235 TosylateBEZ235 p-toluene sulfonateDactolisib Tosylate, 10 mM in DMSODACTOLISIB TOSYLATE (BEZ235 TOSYLATE)NVP-BEZ 235 Tosylate (BEZ235 Tosylate)4-methylbenzenesulfonic acid,2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile2-Methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-yl-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)- phenyl]propionitrile p-toluenesulfonate salt4-[2,3-Dihydro-3-methyl-2-oxo-8-(3-quinolinyl)-1H-imidazo[4,5-c]quinolin-1-yl]-alpha,alpha-dimethylbenzeneacetonitrile 4-methylbenzenesulfonate
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 136 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 47
- Formalladung
- 0
- Komplexität
- 1.080
Physikochemische Eigenschaften
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- Soluble in DMSO
- Aggregatzustand
- Powder
- Farbe
- Off-white to light yellow
Chemie und Industrie
Anwendungen
VerwendenA dual ATP-competitive inhibitor of PI3K and mTOR. p110α, IC50=4 nM; p110β, IC50=75 nM; p110δ, IC50=7 nM; p110γ, IC50=5 nM.
Zugehörige Reaktionen
1
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