(4aS,6R,7S,7aR)-6-[4-[[(1S)-2,3-Dihydro-1H-inden-1-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-7-yl]hexahydro-2-(4-methoxyphenyl)-cyclopenta-1,3-dioxin-7-ol

CAS: 905580-87-2

Ref. TR-D449890

Product Information

• Name: (4aS,6R,7S,7aR)-6-[4-[[(1S)-2,3-Dihydro-1H-inden-1-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-7-yl]hexahydro-2-(4-methoxyphenyl)-cyclopenta-1,3-dioxin-7-ol
• Synonyms: (4As,6R,7S,7Ar)-6-(4-((S)-2,3-Dihydro-1H-Inden-1-Ylamino)-7H-Pyrrolo[2,3-D]Pyrimidin-7-Yl)-2-(4-Methoxyphenyl)Hexahydrocyclopenta[D][1,3]Dioxin-7-Ol
• Brand: TRC
• Description: Applications Used in the preparation of nucleoside derivatives as antitumor agents, E1 activating enzymes and MLN4924, an inhibitor of NEDD8-activating enzyme.References Soucy, T. et al.; Nature 458, 732 (2009)

Chemical properties

• Molecular weight: 498.57
• Formula: C₂₉H₃₀N₄O₄
• Color/Form: Neat
• InChI: InChI=1S/C29H30N4O4/c1-35-20-9-6-18(7-10-20)29-36-15-19-14-24(25(34)26(19)37-29)33-13-12-22-27(30-16-31-28(22)33)32-23-11-8-17-4-2-3-5-21(17)23/h2-7,9-10,12-13,16,19,23-26,29,34H,8,11,14-15H2,1H3,(H,30,31,32)/t19-,23-,24+,25-,26+,29?/m0/s1
• InChI key: InChIKey=MPHAQTOCAUGHAB-DCLRHRAMSA-N
• SMILES: COc1ccc(C2OC[C@@H]3C[C@@H](n4ccc5c(N[C@H]6CCc7ccccc76)ncnc54)[C@H](O)[C@@H]3O2)cc1