Chem
J-GLOBAL ID：201507062444411409   Nikkaji number：J3.353.324A

VE-822

ベルゾセルチブ
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： C24H25N5O3S
Molecular formula furigana： C24-H25-N5-O3-S
Molecular weight： 463.560
InChI： InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27)
InChI key： JZCWLJDSIRUGIN-UHFFFAOYSA-N
SMILES： CNCc1ccc(cc1)c1cc(on1)c1nc(cnc1N)c1ccc(cc1)S(=O)(=O)C(C)C
Systematic name  (3)：
  • 3-[3-[4-(メチルアミノメチル)フェニル]-5-イソオキサゾリル]-5-[4-(イソプロピルスルホニル)フェニル]-2-ピラジンアミン
  • 3-(3-{4-[(メチルアミノ)メチル]フェニル}-1,2-オキサゾール-5-イル)-5-[4-(プロパン-2-スルホニル)フェニル]ピラジン-2-アミン
  • 3-(3-{4-[(methylamino)methyl]phenyl}-1,2-oxazol-5-yl)-5-[4-(propane-2-sulfonyl)phenyl]pyrazin-2-amine
Other name (4)：
  • 3-[3-[4-(Methylaminomethyl)phenyl]-5-isoxazolyl]-5-[4-(isopropylsulfonyl)phenyl]-2-pyrazineamine
  • VE-822
  • ベルゾセルチブ
  • Berzosertib
CAS registry number： 1232416-25-9
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