Chem
J-GLOBAL ID：200907066135822702   Nikkaji number：J353.494D

KN-62

KN-62
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： C38H35N5O6S2
Molecular formula furigana： C38-H35-N5-O6-S2
Molecular weight： 721.850
InChI： InChI=1S/C38H35N5O6S2/c44-38(43-22-20-42(21-23-43)31-8-2-1-3-9-31)35(41-27-50(45,46)36-10-4-6-29-25-39-18-16-33(29)36)24-28-12-14-32(15-13-28)49-51(47,48)37-11-5-7-30-26-40-19-17-34(30)37/h1-19,25-26,35,41H,20-24,27H2/t35-/m0/s1
InChI key： WTFYCGWEIIXIHG-DHUJRADRSA-N
SMILES： O=C([C@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)NCS(=O)(=O)c1cccc2cnccc12)N1CCN(CC1)c1ccccc1
Systematic name  (4)：
  • 5-イソキノリンスルホン酸4-[(S)-2-[[(5-イソキノリニル)スルホニル]メチルアミノ]-3-オキソ-3-(4-フェニル-1-ピペラジニル)プロピル]フェニル
  • 5-イソキノリンスルホン酸4-[(S)-2-[[(イソキノリン-5-イル)スルホニル]メチルアミノ]-3-オキソ-3-(4-フェニル-1-ピペラジニル)プロピル]フェニル
  • 4-[(2S)-2-{[(イソキノリン-5-スルホニル)メチル]アミノ}-3-オキソ-3-(4-フェニルピペラジン-1-イル)プロピル]フェニル イソキノリン-5-スルホナート
  • 4-[(2S)-2-{[(isoquinoline-5-sulfonyl)methyl]amino}-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl isoquinoline-5-sulfonate
Other name (2)：
  • KN-62
  • 5-Isoquinolinesulfonic acid 4-[(S)-2-[[(isoquinolin-5-yl)sulfonyl]methylamino]-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]phenyl ester
CAS registry number： 127191-97-3
Application (1)：
enzyme inhibitor
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