Chem
J-GLOBAL ID：201607005856663105   Nikkaji number：J3.535.964H

Brigatinib

ブリガチニブ
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： C29H39ClN7O2P
Molecular formula furigana： C29-H39-CL-N7-O2-P
Molecular weight： 584.100
InChI： InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)
InChI key： AILRADAXUVEEIR-UHFFFAOYSA-N
SMILES： COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(=O)(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
Systematic name  (3)：
  • 5-クロロ-N′-[2-(ジメチルホスフィニル)フェニル]-N-[2-メトキシ-4-[4-(4-メチルピペラジン-1-イル)ピペリジン-1-イル]フェニル]ピリミジン-2,4-ジアミン
  • 5-クロロ-N4-[2-(ジメチルホスホリル)フェニル]-N2-{2-メトキシ-4-[4-(4-メチルピペラジン-1-イル)ピペリジン-1-イル]フェニル}ピリミジン-2,4-ジアミン
  • 5-chloro-N4-[2-(dimethylphosphoryl)phenyl]-N2-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine
Other name (6)：
  • 5-Chloro-N′-[2-(dimethylphosphinyl)phenyl]-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine
  • ブリガチニブ
  • Brigatinib
  • ブリグチニブ
  • アルンブリグ
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CAS registry number： 1197953-54-0
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