Chem
J-GLOBAL ID：200907013428080739   Nikkaji number：J2.003.899C

VX-680

VX-680
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： C23H28N8OS
Molecular formula furigana： C23-H28-N8-O-S
Molecular weight： 464.590
InChI： InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
InChI key： GCIKSSRWRFVXBI-UHFFFAOYSA-N
SMILES： CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Systematic name  (4)：
  • N-[4-[[4-(4-メチルピペラジン-1-イル)-6-[(3-メチル-1H-ピラゾール-5-イル)アミノ]ピリミジン-2-イル]チオ]フェニル]シクロプロパン-1-カルボアミド
  • N-[4-[[4-(3-メチル-1H-ピラゾール-5-イルアミノ)-6-(4-メチル-1-ピペラジニル)-2-ピリミジニル]チオ]フェニル]シクロプロパンカルボアミド
  • N-[4-({4-[(3-メチル-1H-ピラゾール-5-イル)アミノ]-6-(4-メチルピペラジン-1-イル)ピリミジン-2-イル}スルファニル)フェニル]シクロプロパンカルボキサミド
  • N-[4-({4-[(3-methyl-1H-pyrazol-5-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl}sulfanyl)phenyl]cyclopropanecarboxamide
Other name (6)：
  • N-[4-[[4-(4-Methylpiperazine-1-yl)-6-[(3-methyl-1H-pyrazole-5-yl)amino]pyrimidine-2-yl]thio]phenyl]cyclopropane-1-carboxamide
  • VX-680
  • MK-0457
  • N-[4-[[4-(3-Methyl-1H-pyrazole-5-ylamino)-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]phenyl]cyclopropanecarboxamide
  • トザセルチブ
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CAS registry number： 639089-54-6
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