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886579-13-1

886579-13-1 Structure

886579-13-1 Structure
IdentificationBack Directory
[Name]

3-QuinolinecarboxaMide, 1,2-dihydro-N-[(3-endo)-8-[(2S)-2-hydroxy-3-[4-(Methylsulfonyl)-1-piperazinyl]propyl]-8-azabicyclo[3.2.1]oct-3-yl]-1-(1-Methylethyl)-2-oxo-
[CAS]

886579-13-1
[Synonyms]

N-[8-[(2S)-2-hydroxy-3-(4-methylsulfonylpiperazin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide
3-QuinolinecarboxaMide, 1,2-dihydro-N-[(3-endo)-8-[(2S)-2-hydroxy-3-[4-(Methylsulfonyl)-1-piperazinyl]propyl]-8-azabicyclo[3.2.1]oct-3-yl]-1-(1-Methylethyl)-2-oxo-
[Molecular Formula]

C28H41N5O5S
[MOL File]

886579-13-1.mol
[Molecular Weight]

559.721
Chemical PropertiesBack Directory
[Melting point ]

108 °C
[density ]

1.359±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
[pka]

12.713±0.20(predicted)
Hazard InformationBack Directory
[Uses]

THRX-194556 is a 5-HT4 receptor agonist. THRX-194556 can be used to study gastrointestinal functional disorders and Alzheimer’s disease[1][2].
[IC 50]

5-HT4 Receptor
[References]

[1] A Multivalent Approach to the Design and Discovery of Orally Efficacious 5-HT4 Receptor Agonists J. Med. Chem., 2009, 52 (17), pp 5330-5343
[2] Long DD, et al. Discovery, oral pharmacokinetics and in vivo efficacy of velusetrag, a highly selective 5-HT(4) receptor agonist that has achieved proof-of-concept in patients with chronic idiopathic constipation. Bioorg Med Chem Lett. 2012 Oct 1;22(19):6048-52. DOI:10.1016/j.bmcl.2012.08.051
[3] Long DD, Armstrong SR, Beattie DT, Choi SK, Fatheree PR, Gendron RA, Goldblum AA, Humphrey PP, Marquess DG, et al. Discovery, oral pharmacokinetics and in vivo efficacy of a highly selective 5-HT4 receptor agonist: clinical compound TD-2749. Bioorg Med Chem Lett. 2012 Jul 15;22(14):4849-53. DOI:10.1016/j.bmcl.2012.05.034
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