Dactolisib
Grundinformationen
- CAS
1108047-35-3- Standard-SMILES
Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21- InChIKey
JOGKUKXHTYWRGZ-UHFFFAOYSA-N- Summenformel
- C30H23N5O
- Durchschnittliche Molmasse
- 469,5 g/mol
Überblick
Dactolisib is an imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 4-(1-cyanoisopropyl)phenyl group and at position 8 by a quinolin-3-yl group. A dual PI3K/mTOR inhibitor used in cancer treatment. It has a role as an antineoplastic agent, an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor and a mTOR inhibitor. It is a nitrile, a member of quinolines, a ring assembly, an imidazoquinoline and a member of ureas.
Namen und Bezeichner
- Bevorzugter Name
- Dactolisib
- IUPAC
- 2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
- Englischer Name
- 2-Methyl-2-(4-(3-Methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydro-1H-iMidazo[4,5-c]quinolin-1-yl)phenyl)propanenitrile
- Summenformel
- C30H23N5O
- Molmasse
- 469.53652
Namen und Synonyme
dactolisib915019-65-7NVP-BEZ235BEZ235NVP-BEZ 235BEZ-2352-methyl-2-(4-(3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)propanenitrileBEZ 235NVP-BEZ-235NVPBEZ235NVP BEZ235RTB101
Weitere Namen anzeigen
4-[2,3-dihydro-3-methyl-2-oxo-8-(3-quinolinyl)-1H-imidazo[4,5-c]quinolin-1-yl]-α,α-dimethyl-Benzeneacetonitrile mixt. with CNF 1010Benzeneacetonitrile, 4-[2,3-dihydro-3-methyl-2-oxo-8-(3-quinolinyl)-1H-imidazo[4,5-c]quinolin-1-yl]-α,α-dimethyl-, mixt. with CNF 10104-[2,3-Dihydro-3-methyl-2-oxo-8-(quinolin-3-yl)-1H-imidazo[4,5-c]quinolin-1-yl]-alpha,alpha-dimethylbenzeneacetonitrile mixt. with cnf 1010
RTB-101RUJ6Z9Y0DTNSC-7512492-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrileCHEBI:71952DTXSID102385992-methyl-2-(4-(3-methyl-2-oxo-8-quinolin-3-yl-2,3-dihydro-1h-imidazo(4,5-c)quinolin-1-yl)phenyl)propanenitrile2-methyl-2-{4-[3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl]phenyl}propanenitrile
Datenbank-Bezeichner
- CAS
1108047-35-3- ChEMBL
CHEMBL1879463- ChEBI
CHEBI:71952- UNII
- RUJ6Z9Y0DT
- Nikkaji
- J2.731.431G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,2
- Polarare Oberfläche (TPSA)
- 73,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 36
- Formalladung
- 0
- Komplexität
- 872
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationSubstances that inhibit or prevent the proliferation of NEOPLASMS.
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