Chem
J-GLOBAL ID：201507070511846299   Nikkaji number：J3.371.287A

Encorafenib

エンコラフェニブ
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： C22H27ClFN7O4S
Molecular formula furigana： C22-H27-CL-F-N7-O4-S
Molecular weight： 540.010
InChI： InChI=1S/C22H27ClFN7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)26-10-13(3)27-22(32)35-4)20(29-31)15-8-14(23)9-18(19(15)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1
InChI key： CMJCXYNUCSMDBY-ZDUSSCGKSA-N
SMILES： COC(=O)N[C@@H](C)CNc1nccc(n1)c1cn(nc1c1cc(Cl)cc(NS(=O)(=O)C)c1F)C(C)C
Systematic name  (3)：
  • [(1S)-1-メチル-2-(4-(1-イソプロピル-3-(2-フルオロ-3-メタンスルホニルアミノ-5-クロロフェニル)-1H-ピラゾール-4-イル)2-ピリミジニルアミノ)エチル]カルバミド酸メチル
  • メチル N-[(2S)-1-({4-[3-(5-クロロ-2-フルオロ-3-メタンスルホンアミドフェニル)-1-(プロパン-2-イル)-1H-ピラゾール-4-イル]ピリミジン-2-イル}アミノ)プロパン-2-イル]カルバマート
  • methyl N-[(2S)-1-({4-[3-(5-chloro-2-fluoro-3-methanesulfonamidophenyl)-1-(propan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl}amino)propan-2-yl]carbamate
Other name (3)：
  • [(1S)-1-Methyl-2-(4-(1-isopropyl-3-(2-fluoro-3-methanesulfonylamino-5-chlorophenyl)-1H-pyrazole-4-yl)2-pyrimidinylamino)ethyl]carbamic acid methyl ester
  • Encorafenib
  • エンコラフェニブ
Application (3)：
antitumor drug ,  molecular targeting drug ,  MAP kinase kinase kinase
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