CAS 905580-87-2

(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

Description:

The chemical substance with the 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" and CAS number "905580-87-2" is a complex organic compound characterized by its intricate molecular structure, which includes multiple fused rings and functional groups. This compound features a pyrrolo[2,3-d]pyrimidine moiety, indicating potential biological activity, particularly in medicinal chemistry. The presence of a methoxyphenyl group suggests possible interactions with biological targets, enhancing its pharmacological properties. The stereochemistry, denoted by the specific configuration at various chiral centers, plays a crucial role in determining the compound's reactivity and biological activity. Additionally, the cyclopenta-1,3-dioxin ring contributes to its stability and potential reactivity. Overall, this compound may exhibit significant interest in drug development, particularly in areas related to cancer or neurological disorders, although specific biological activities would require further investigation through experimental studies.

Formula: C₂₉H₃₀N₄O₄

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: O[C@H]1[C@H](N2C=3C(C=C2)=C(N[C@@H]4C=5C(CC4)=CC=CC5)N=CN3)C[C@@]6([C@]1(OC(OC6)C7=CC=C(OC)C=C7)[H])[H]

Synonyms:

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

(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

Controlled Product

CAS: 905580-87-2

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)

Formula: C₂₉H₃₀N₄O₄

Color and Shape: Neat

Molecular weight: 498.57

Ref: TR-D449890