Chem
J-GLOBAL ID：201807003006510913   Nikkaji number：J3.687.808H

DS-3201b

DS-3201
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： C26H34ClN3O4
Molecular formula furigana： C26-H34-CL-N3-O4
Molecular weight： 488.030
InChI： InChI=1S/C26H34ClN3O4/c1-14-11-15(2)29-25(32)20(14)13-28-24(31)19-12-21(27)23-22(16(19)3)33-26(4,34-23)17-7-9-18(10-8-17)30(5)6/h11-12,17-18H,7-10,13H2,1-6H3,(H,28,31)(H,29,32)/t17?,18?,26-/m1/s1
InChI key： SSDRNUPMYCFXGM-ZZHSESOFSA-N
SMILES： CN(C)C1CCC(CC1)[C@@]1(C)Oc2c(O1)c(C)c(cc2Cl)C(=O)NCc1c(C)cc(C)[nH]c1=O
Systematic name  (3)：
  • N-(2-オキソ-4,6-ジメチル-1,2-ジヒドロピリジン-3-イルメチル)-2β,4-ジメチル-2-(4β-(ジメチルアミノ)シクロヘキシル)-7-クロロ-1,3-ベンゾジオキソール-5-カルボアミド
  • (2R)-7-クロロ-N-[(4,6-ジメチル-2-オキソ-1,2-ジヒドロピリジン-3-イル)メチル]-2-[4-(ジメチルアミノ)シクロヘキシル]-2,4-ジメチル-2H-1,3-ベンゾジオキソール-5-カルボキサミド
  • (2R)-7-chloro-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-2H-1,3-benzodioxole-5-carboxamide
Other name (6)：
  • N-(2-Oxo-4,6-dimethyl-1,2-dihydropyridine-3-ylmethyl)-2β,4-dimethyl-2-(4β-(dimethylamino)cyclohexyl)-7-chloro-1,3-benzodioxole-5-carboxamide
  • (R)-OR-S2
  • バレメトスタット
  • Valemetostat
  • DS-3201b
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