Chem
J-GLOBAL ID：200907014448373119   Nikkaji number：J2.069.102F

MLN-518

MLN-518
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： C31H42N6O4
Molecular formula furigana： C31-H42-N6-O4
Molecular weight： 562.715
InChI： InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38)
InChI key： UXXQOJXBIDBUAC-UHFFFAOYSA-N
SMILES： COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
Systematic name  (3)：
  • 4-[6-メトキシ-7-(3-ピペリジノプロポキシ)-4-キナゾリニル]-N-(4-イソプロポキシフェニル)ピペラジン-1-カルボアミド
  • 4-{6-メトキシ-7-[3-(ピペリジン-1-イル)プロポキシ]キナゾリン-4-イル}-N-[4-(プロパン-2-イルオキシ)フェニル]ピペラジン-1-カルボキサミド
  • 4-{6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-yl}-N-[4-(propan-2-yloxy)phenyl]piperazine-1-carboxamide
Other name (5)：
  • 4-[6-Methoxy-7-(3-piperidinopropoxy)-4-quinazolinyl]-N-(4-isopropoxyphenyl)piperazine-1-carboxamide
  • MLN-518
  • Tandutinib
  • CT-53518
  • タンズチニブ
CAS registry number： 387867-13-2
KEGG DRUG： D06005
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