Chem
J-GLOBAL ID：200907046651802350   Nikkaji number：J2.466.074E

PF-228

6-[[5-(トリフルオロメチル)-4-[[3-(メチルスルホニル)ベンジル]アミノ]-2-ピリミジニル]アミノ]-3,4-ジヒドロキノリン-2(1H)-オン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C22H20F3N5O3S
Molecular formula furigana： C22-H20-F3-N5-O3-S
Molecular weight： 491.490
InChI： InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30)
InChI key： HESLKTSGTIBHJU-UHFFFAOYSA-N
SMILES： CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1
Systematic name  (4)：
  • 6-[[5-(トリフルオロメチル)-4-[[3-(メチルスルホニル)ベンジル]アミノ]-2-ピリミジニル]アミノ]-3,4-ジヒドロキノリン-2(1H)-オン
  • 3,4-ジヒドロ-6-[[4-[[[3-(メチルスルホニル)フェニル]メチル]アミノ]-5-(トリフルオロメチル)-2-ピリミジニル]アミノ]-2(1H)-キノリノン
  • 6-[(4-{[(3-メタンスルホニルフェニル)メチル]アミノ}-5-(トリフルオロメチル)ピリミジン-2-イル)アミノ]-1,2,3,4-テトラヒドロキノリン-2-オン
  • 6-[(4-{[(3-methanesulfonylphenyl)methyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl)amino]-1,2,3,4-tetrahydroquinolin-2-one
Other name (4)：
  • 6-[[5-(Trifluoromethyl)-4-[[3-(methylsulfonyl)benzyl]amino]-2-pyrimidinyl]amino]-3,4-dihydroquinoline-2(1H)-one
  • PF-228
  • 3,4-Dihydro-6-[[4-[[[3-(methylsulfonyl)phenyl]methyl]amino]-5-(trifluoromethyl)-2-pyrimidinyl]amino]-2(1H)-quinolinone
  • PF-573228
CAS registry number： 869288-64-2
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