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158848-32-9

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158848-32-9 Structure

158848-32-9 Structure
IdentificationBack Directory
[Name]

5-FLUORO-3-[2-[4-METHOXY-4-[[(R)-PHENYLSULPHINYL]METHYL]-1-PIPERIDINYL]ETHYL]-1H-INDOLE
[CAS]

158848-32-9
[Synonyms]

GR 159897
5-Fluoro-3-[2-[4-methoxy-4-[[-phenylsulphinyl]methyl]-1-piperidinyl]ethyl]-1H-indole
(R)-5-Fluoro-3-[2-[4-methoxy-4-[(phenylsulfinyl)methyl]-1-piperidinyl]ethyl]-1H-indole
5-Fluoro-3-[2-[4-methoxy-4-[[(R)-phenylsulfinyl]methyl]-1-piperidinyl]ethyl]-1H-indole
5-FLUORO-3-[2-[4-METHOXY-4-[[(R)-PHENYLSULPHINYL]METHYL]-1-PIPERIDINYL]ETHYL]-1H-INDOLE
1H-Indole, 5-fluoro-3-[2-[4-methoxy-4-[[(R)-phenylsulfinyl]methyl]-1-piperidinyl]ethyl]-
[Molecular Formula]

C23H27FN2O2S
[MDL Number]

MFCD05665140
[MOL File]

158848-32-9.mol
[Molecular Weight]

414.54
Chemical PropertiesBack Directory
[Boiling point ]

600.2±55.0 °C(Predicted)
[density ]

1.29±0.1 g/cm3(Predicted)
[storage temp. ]

−20°C
[solubility ]

DMSO: ~24 mg/mL, soluble
[form ]

solid
[pka]

16.46±0.30(Predicted)
[color ]

off-white
Safety DataBack Directory
[WGK Germany ]

3
Hazard InformationBack Directory
[Uses]

GR 159897 is an NK2 receptor antagonist which aids in the treatment of IBS.
[Biological Activity]

A potent, selective, non-peptide, orally active neurokinin NK 2 receptor antagonist. Competes for binding of [ 3 H]GR100679 to hNK 2 -transfected CHO cells with a pK i of 9.5. Inhibits NK 2 receptor-mediated contraction of guinea pig trachea with a pA 2 of 8.7. Anxiolytic in vivo .
[in vivo]

GR 159897 (0.12 mg/kg; intravenous injection; guinea-pigs) treatment potently antagonizes bronchoconstriction induced by GR64349, with a long duration of action (3 h)[1].

Animal Model:Guinea-pigs[1]
Dosage:0.12 mg/kg
Administration:Intravenous injection
Result:Potently antagonised bronchoconstriction induced by GR64349, with a long duration of action (3 h).
[IC 50]

NK2: 10 (pKi, Rat colon membrane); hNK2: 9.51 (pKi, CHO cell)
[storage]

Desiccate at -20°C
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