Chem
J-GLOBAL ID：201107081707150813   Nikkaji number：J2.963.994I

BI-6727

ボラセルチブ
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： C34H50N8O3
Molecular formula furigana： C34-H50-N8-O3
Molecular weight： 618.827
InChI： InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25-,26-,28-/m1/s1
InChI key： SXNJFOWDRLKDSF-STROYTFGSA-N
SMILES： CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O
Systematic name  (3)：
  • N-[(1α)-4β-[4-(シクロプロピルメチル)ピペラジノ]シクロヘキシル]-4-[[(7R)-7-エチル-5,6,7,8-テトラヒドロ-5-メチル-8-イソプロピル-6-オキソプテリジン-2-イル]アミノ]-3-メトキシベンズアミド
  • 4-{[(7R)-7-エチル-5-メチル-6-オキソ-8-(プロパン-2-イル)-5,6,7,8-テトラヒドロプテリジン-2-イル]アミノ}-3-メトキシ-N-[(1r,4r)-4-[4-(シクロプロピルメチル)ピペラジン-1-イル]シクロヘキシル]ベンズアミド
  • 4-{[(7R)-7-ethyl-5-methyl-6-oxo-8-(propan-2-yl)-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-[(1r,4r)-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]benzamide
Other name (4)：
  • N-[(1α)-4β-[4-(Cyclopropylmethyl)piperazino]cyclohexyl]-4-[[(7R)-7-ethyl-5,6,7,8-tetrahydro-5-methyl-8-isopropyl-6-oxopteridine-2-yl]amino]-3-methoxybenzamide
  • ボラセルチブ
  • Volasertib
  • BI-6727
CAS registry number： 755038-65-4
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