Duvelisib (IPI-145, INK1197)

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Names

[ CAS No. ]:
1201438-56-3

[ Name ]:
Duvelisib (IPI-145, INK1197)

[Synonym ]:
8-Chloro-2-phenyl-3-[(1S)-1-(3H-purin-6-ylamino)ethyl]-1(2H)-isoquinolinone
IPI-145
1(2H)-Isoquinolinone, 8-chloro-2-phenyl-3-[(1S)-1-(9H-purin-6-ylamino)ethyl]-
UNII-610V23S0JI
INK1197
INK-1197
duvelisib

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Molecular Formula ]:
C22H17ClN6O

[ Molecular Weight ]:
416.863

[ Exact Mass ]:
416.115234

[ PSA ]:
88.49000

[ LogP ]:
4.60

[ Index of Refraction ]:
1.757

[ Storage condition ]:
-20°C

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 8-chloro-2-phenyl-3-(1-(9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-ylamino)ethyl)isoquinolin-1(2H)-one
  • 2-Chloro-6-methylbenzoic acid
  • 2-chloro-6-methyl-N-phenylbenzamide
  • 2-Chloro-6-methylbenzoyl Chloride
  • 6-chloropurine
  • 6-Chloro-9-(tetrahydro-2-pyranyl)purine

DownStream

Related Compounds

  • Duvelisib R enantiomer
  • Eganelisib(IPI-549)
  • TIMP-2 (145-168) (human, bovine) trifluoroacetate salt
  • Disperse Red 145
  • 2-[3-cyano-4-(pyrrolidin-1-yl)-4-thioxobut-2-enylidene]-2H-benzoxazole-3-propanesulphonic acid, compound with triethylamine (1:1)
  • reactive yellow 145
  • 4-(3-bromoprop-1-en-2-yl)-1-methyl-3-(oxan-4-yl)-1H-pyrazole
  • Methyl 3'-chlorospiro[bicyclo[3.2.1]octane-3,2'-oxirane]-3'-carboxylate
  • tert-butyl N-{4-[(1R)-1-amino-2-hydroxyethyl]-2-chlorophenyl}carbamate
  • 3-(5-Nitropyridin-2-yl)but-3-en-1-amine
  • 4-[5-(Trifluoromethyl)furan-2-yl]-1,3-thiazol-2-amine
  • 1-[2-Methoxy-3-(trifluoromethyl)phenyl]-3-oxocyclobutane-1-carboxylic acid
  • N-(3-amino-5-methylphenyl)-2-nitrobenzene-1-sulfonamide
  • tert-butyl N-[3-(3-amino-1-fluoropropyl)phenyl]carbamate
  • 3-(1-Isocyanatocyclopropyl)-1,1-dimethylcyclohexane
  • 5-(2-methoxy-2-methylpropyl)-1H-imidazol-2-amine
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