Chem
J-GLOBAL ID：200907033731653440   Nikkaji number：J806.697C

YF-476

YF-476
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： C28H30N6O3
Molecular formula furigana： C28-H30-N6-O3
Molecular weight： 498.587
InChI： InChI=1S/C28H30N6O3/c1-28(2,3)23(35)17-34-22-14-6-5-12-20(22)24(21-13-7-8-15-30-21)32-25(26(34)36)33-27(37)31-19-11-9-10-18(16-19)29-4/h5-16,25,29H,17H2,1-4H3,(H2,31,33,37)/t25-/m0/s1
InChI key： YDZYKNJZCVIKPP-VWLOTQADSA-N
SMILES： CNc1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Systematic name  (4)：
  • 1-[[(3R)-1-(2-オキソ-3,3-ジメチルブチル)-2-オキソ-5-(2-ピリジル)-2,3-ジヒドロ-1H-1,4-ベンゾジアゼピン]-3α-イル]-3-[3-(メチルアミノ)フェニル]尿素
  • 1-[[(3R)-2,3-ジヒドロ-2-オキソ-1-(2-オキソ-3,3-ジメチルブチル)-5-(2-ピリジル)-1H-1,4-ベンゾジアゼピン]-3-イル]-3-[3-(メチルアミノ)フェニル]尿素
  • 1-[(3R)-1-(3,3-ジメチル-2-オキソブチル)-2-オキソ-5-(ピリジン-2-イル)-2,3-ジヒドロ-1H-1,4-ベンゾジアゼピン-3-イル]-3-[3-(メチルアミノ)フェニル]尿素
  • 1-[(3R)-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(pyridin-2-yl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-3-[3-(methylamino)phenyl]urea
Other name (4)：
  • YM-476
  • 1-[[(3R)-1-(2-Oxo-3,3-dimethylbutyl)-2-oxo-5-(2-pyridyl)-2,3-dihydro-1H-1,4-benzodiazepin]-3α-yl]-3-[3-(methylamino)phenyl]urea
  • 1-[[(3R)-2,3-Dihydro-2-oxo-1-(2-oxo-3,3-dimethylbutyl)-5-(2-pyridyl)-1H-1,4-benzodiazepine]-3-yl]-3-[3-(methylamino)phenyl]urea
  • YF-476
CAS registry number： 155488-25-8
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