Chem
J-GLOBAL ID：201007086776789928   Nikkaji number：J2.843.862A

Ponatinib

ポナチニブ
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： C29H27F3N6O
Molecular formula furigana： C29-H27-F3-N6-O
Molecular weight： 532.571
InChI： InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
InChI key： PHXJVRSECIGDHY-UHFFFAOYSA-N
SMILES： CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
Systematic name  (4)：
  • 3-(イミダゾ[1,2-b]ピリダジン-3-イルエチニル)-4-メチル-N-[4-[(4-メチルピペラジノ)メチル]-3-(トリフルオロメチル)フェニル]ベンズアミド
  • N-[4-(4-メチルピペラジン-1-イルメチル)-3-(トリフルオロメチル)フェニル]-3-(イミダゾ[1,2-b]ピリダジン-3-イルエチニル)-4-メチルベンズアミド
  • 3-(2-{イミダゾ[1,2-b]ピリダジン-3-イル}エチニル)-4-メチル-N-{4-[(4-メチルピペラジン-1-イル)メチル]-3-(トリフルオロメチル)フェニル}ベンズアミド
  • 3-(2-{imidazo[1,2-b]pyridazin-3-yl}ethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide
Other name (5)：
  • AP-24534
  • ポナチニブ
  • Ponatinib
  • 3-(Imidazo[1,2-b]pyridazine-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazino)methyl]-3-(trifluoromethyl)phenyl]benzamide
  • N-[4-(4-Methylpiperazine-1-ylmethyl)-3-(trifluoromethyl)phenyl]-3-(imidazo[1,2-b]pyridazine-3-ylethynyl)-4-methylbenzamide
CAS registry number： 943319-70-8
Application (2)：
antitumor drug ,  molecular targeting drug
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