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
  • 2-(1-methyl-1H-pyrazol-5-yl)-6-(pyrrolidin-3-yloxy)pyridine
  • Methyl 3-{6-[(piperidin-3-yl)methoxy]pyridin-2-yl}prop-2-ynoate
  • 2-(4-Chlorophenyl)-6-(pyrrolidin-3-yloxy)pyrazine
  • 3-[6-(Pyrrolidin-3-yloxy)pyrazin-2-yl]prop-2-ynoic acid
  • 6-(Pyrrolidin-3-yloxy)-3,4'-bipyridine
  • (1S,4S)-1-methyl-2-oxabicyclo[2.2.1]heptane-4-carboxylic acid
  • (3S)-3-{[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]methyl}-5-methylhexanoic acid
  • (3S)-3-{[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]methyl}-5-methylhexanoic acid
  • (2-Methoxy-5-methylphenyl)methanesulfonyl fluoride
  • (2E)-4-methanesulfonylpent-2-enoic acid
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