Chem
J-GLOBAL ID：201407027269287913   Nikkaji number：J3.252.917H

Ceritinib

セリチニブ
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： C28H36ClN5O3S
Molecular formula furigana： C28-H36-CL-N5-O3-S
Molecular weight： 558.140
InChI： InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)
InChI key： VERWOWGGCGHDQE-UHFFFAOYSA-N
SMILES： CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Systematic name  (5)：
  • 5-クロロ-N-[2-イソプロポキシ-4-(4-ピペリジニル)-5-メチルフェニル]-N′-[2-(イソプロピルスルホニル)フェニル]-2,4-ピリミジンジアミン
  • 5-クロロ-N-[2-イソプロポキシ-5-メチル-4-(4-ピペリジル)フェニル]-4-[2-(イソプロピルスルホニル)アニリノ]ピリミジン-2-アミン
  • 5-クロロ-N′-[2-[(1-メチルエチル)スルホニル]フェニル]-N-[5-メチル-2-(1-メチルエトキシ)-4-(4-ピペリジニル)フェニル]-2,4-ピリミジンジアミン
  • 5-クロロ-N2-[5-メチル-4-(ピペリジン-4-イル)-2-(プロパン-2-イルオキシ)フェニル]-N4-[2-(プロパン-2-スルホニル)フェニル]ピリミジン-2,4-ジアミン
  • 5-chloro-N2-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N4-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine
Other name (9)：
  • 5-Chloro-N-[2-isopropoxy-4-(4-piperidinyl)-5-methylphenyl]-N′-[2-(isopropylsulfonyl)phenyl]-2,4-pyrimidinediamine
  • LDK-378
  • セリチニブ
  • Ceritinib
  • 5-Chloro-N-[2-isopropoxy-5-methyl-4-(4-piperidyl)phenyl]-4-[2-(isopropylsulfonyl)anilino]pyrimidine-2-amine
Show all
CAS registry number： 1032900-25-6
Regulation number (1)：
  • 8-(2)-2645
Application (2)：
antitumor drug ,  molecular targeting drug
Thsaurus map：
Thesaurus Map

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