Chem
J-GLOBAL ID：200907088222990135   Nikkaji number：J2.638.645D

TAE-684

5-クロロ-N-[2-メトキシ-4-[4-(4-メチルピペラジノ)ピペリジノ]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
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： C30H40ClN7O3S
Molecular formula furigana： C30-H40-CL-N7-O3-S
Molecular weight： 614.210
InChI： InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)
InChI key： QQWUGDVOUVUTOY-UHFFFAOYSA-N
SMILES： COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
Systematic name  (4)：
  • 5-クロロ-N′-[2-(イソプロピルスルホニル)フェニル]-N-[4-[4-(4-メチルピペラジノ)ピペリジノ]-2-メトキシフェニル]-2,4-ピリミジンジアミン
  • 5-クロロ-N-[2-メトキシ-4-[4-(4-メチルピペラジノ)ピペリジノ]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-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}-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-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}-N4-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine
Other name (4)：
  • 5-Chloro-N′-[2-(isopropylsulfonyl)phenyl]-N-[4-[4-(4-methylpiperazino)piperidino]-2-methoxyphenyl]-2,4-pyrimidinediamine
  • TAE-684
  • 5-Chloro-N-[2-methoxy-4-[4-(4-methylpiperazino)piperidino]phenyl]-N′-[2-(isopropylsulfonyl)phenyl]-2,4-pyrimidinediamine
  • NVP-TAE-684
CAS registry number： 761439-42-3
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