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3021554-08-2

3021554-08-2 Structure

3021554-08-2 Structure
IdentificationBack Directory
[Name]

3H-1,2,4-Triazol-3-one, 2-(2,6-difluoro-4-pyridinyl)-2,4-dihydro-4-[(3α,5β)-3-hydroxy-3-methyl-20-oxo-19-norpregnan-21-yl]-
[CAS]

3021554-08-2
[Synonyms]

3H-1,2,4-Triazol-3-one, 2-(2,6-difluoro-4-pyridinyl)-2,4-dihydro-4-[(3α,5β)-3-hydroxy-3-methyl-20-oxo-19-norpregnan-21-yl]-
[Molecular Formula]

C28H36F2N4O3
[MOL File]

3021554-08-2.mol
[Molecular Weight]

514.61
Chemical PropertiesBack Directory
[Boiling point ]

633.0±65.0 °C(predicted)
[density ]

1.47±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
[pka]

15.17±0.60(predicted)
Hazard InformationBack Directory
[Uses]

GABAA receptor modulator-5 (Compound S28) is a modulator for (γ-aminobutyric acid)A receptor (GABAA receptor), with EC50 of 56 nM and 10 nM, for α1β2γ2 and α4β3δ subtype. GABAA receptor modulator-5 exhibits good pharmacokinetic characteristics in rats. GABAA receptor modulator-5 is slightly toxic toxicity in rats with a loss of rollover reflex (LORR) threshold dose of 23.3 μmol/kg, and exhibits potential ameliorating the postpartum depression[1].
[References]

[1] Ma M, et al., Synthesis and evaluation of neuroactive steroids with novel pharmacophore at C-21 let identify a compound with advantageous PK profile and higher EC50?and Emax?as PAM on GABAA receptor. Eur J Med Chem. 2024 Jun 22;276:116602. DOI:10.1016/j.ejmech.2024.116602
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