Chem
J-GLOBAL ID：200907001480113760   Nikkaji number：J675.729D

ML-7

ML-7
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： C15H17IN2O2S
Molecular formula furigana： C15-H17-I-N2-O2-S
Molecular weight： 416.280
InChI： InChI=1S/C15H17IN2O2S/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18/h1-2,4-7,17H,3,8-11H2
InChI key： GEHJIACZUFWBTK-UHFFFAOYSA-N
SMILES： Ic1cccc2c(cccc12)S(=O)(=O)N1CCCNCC1
Systematic name  (4)：
  • 1-(5-ヨード-1-ナフチルスルホニル)ヘキサヒドロ-1H-1,4-ジアゼピン
  • (5-ヨード-1-ナフチル)[(ヘキサヒドロ-1H-1,4-ジアゼピン)-1-イル]スルホン
  • 1-[(5-ヨードナフタレン-1-イル)スルホニル]-1,4-ジアゼパン
  • 1-[(5-iodonaphthalen-1-yl)sulfonyl]-1,4-diazepane
Other name (3)：
  • ML-7
  • (5-Iodo-1-naphthyl)[(hexahydro-1H-1,4-diazepin)-1-yl] sulfone
  • 1-(5-Iodo-1-naphthylsulfonyl)hexahydro-1H-1,4-diazepine
CAS registry number： 109376-83-2
Application (1)：
enzyme inhibitor
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