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130905-04-3

130905-04-3 Structure

130905-04-3 Structure
IdentificationBack Directory
[Name]

phendioxan
[CAS]

130905-04-3
[Synonyms]

phendioxan
(2R)-2,3-Dihydro-3β-[[2-(2,6-dimethoxyphenoxy)ethylamino]methyl]-2α-phenyl-1,4-benzodioxin
1,4-Benzodioxin-2-methanamine, N-[2-(2,6-dimethoxyphenoxy)ethyl]-2,3-dihydro-3-phenyl-, (2R,3R)-rel-
[Molecular Formula]

C25H27NO5
[MDL Number]

MFCD00897723
[MOL File]

130905-04-3.mol
[Molecular Weight]

421.49
Chemical PropertiesBack Directory
[Boiling point ]

559.0±50.0 °C(Predicted)
[density ]

1.164±0.06 g/cm3(Predicted)
[pka]

7.61±0.20(Predicted)
Hazard InformationBack Directory
[Uses]

Phendioxan is a compound with binding activity at the α(1)-adrenaline receptor subtype. The facilitated membrane diffusion of phendioxan is thought to be associated with improved α(1d)-AR affinity. Docking simulations of phendioxan at biological targets supported the stoichiometric analysis and revealed the importance of polar, electrostatic, hydrophobic, and shape effects of its phenoxy terminal orthogonal substituents on ligand binding[1].
[References]

[1] Structure-activity relationships in 1,4-benzodioxan-related compounds. 10. Novel α1-adrenoreceptor antagonists related to openphendioxan: synthesis, biological evaluation, and α1d computational study
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