Chem
J-GLOBAL ID：201307057685136516   Nikkaji number：J3.144.756I

TAK-285

N-[2-[4-[[3-クロロ-4-[3-(トリフルオロメチル)フェノキシ]フェニル]アミノ]-5H-ピロロ[3,2-d]ピリミジン-5-イル]エチル]-3-ヒドロキシ-3-メチルブタンアミド
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： C26H25ClF3N5O3
Molecular formula furigana： C26-H25-CL-F3-N5-O3
Molecular weight： 547.960
InChI： InChI=1S/C26H25ClF3N5O3/c1-25(2,37)14-22(36)31-9-11-35-10-8-20-23(35)24(33-15-32-20)34-17-6-7-21(19(27)13-17)38-18-5-3-4-16(12-18)26(28,29)30/h3-8,10,12-13,15,37H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34)
InChI key： ZYQXEVJIFYIBHZ-UHFFFAOYSA-N
SMILES： CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
Systematic name  (3)：
  • N-[2-[4-[[3-クロロ-4-[3-(トリフルオロメチル)フェノキシ]フェニル]アミノ]-5H-ピロロ[3,2-d]ピリミジン-5-イル]エチル]-3-ヒドロキシ-3-メチルブタンアミド
  • N-{2-[4-({3-クロロ-4-[3-(トリフルオロメチル)フェノキシ]フェニル}アミノ)-5H-ピロロ[3,2-d]ピリミジン-5-イル]エチル}-3-ヒドロキシ-3-メチルブタンアミド
  • N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide
Other name (2)：
  • N-[2-[4-[[3-Chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]amino]-5H-pyrrolo[3,2-d]pyrimidine-5-yl]ethyl]-3-hydroxy-3-methylbutanamide
  • TAK-285
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