| Identification | Back Directory | [Name]
[5-Methanesulfonyl-2-((R)-2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-[(1R,5R)-1-(5-trifluoromethyl-isoxazol-3-yl)-3-aza-bicyclo[3.1.0] | [CAS]
1421936-85-7 | [Synonyms]
Iclepertin
Iclepertin (BI-425809)
[5-Methanesulfonyl-2-((R)-2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-[(1R,5R)-1-(5-trifluoromethyl-isoxazol-3-yl)-3-aza-bicyclo
[5-Methanesulfonyl-2-((R)-2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-[(1R,5R)-1-(5-trifluoromethyl-isoxazol-3-yl)-3-aza-bicyclo[3.1.0]
Methanone, [5-(methylsulfonyl)-2-[(1R)-2,2,2-trifluoro-1-methylethoxy]phenyl][(1R,5R)-1-[5-(trifluoromethyl)-3-isoxazolyl]-3-azabicyclo[3.1.0]hex-3-yl]- | [EINECS(EC#)]
812-974-1 | [Molecular Formula]
C20H18F6N2O5S | [MDL Number]
MFCD34474019 | [MOL File]
1421936-85-7.mol | [Molecular Weight]
512.42 |
| Chemical Properties | Back Directory | [Boiling point ]
605.2±55.0 °C(Predicted) | [density ]
1.508±0.06 g/cm3(Predicted) | [form ]
Solid | [pka]
-2.86±0.40(Predicted) | [color ]
White to off-white | [InChIKey]
MYHDQTVHHMSLEF-DDBGAENHSA-N | [SMILES]
C(C1=CC(S(C)(=O)=O)=CC=C1O[C@H](C)C(F)(F)F)(N1C[C@@]2([H])[C@](C3C=C(C(F)(F)F)ON=3)(C2)C1)=O |
| Hazard Information | Back Directory | [Uses]
[5-?(Methylsulfonyl)?-?2-?[(1R)?-?2,?2,?2-?trifluoro-?1-?methylethoxy]?phenyl]?[(1R,?5R)?-?1-?[5-?(trifluoromethyl)?-?3-?isoxazolyl]?-?3-?azabicyclo[3.1.0]?hex-?3-?yl]?-methanone is a solid form of GlyT1 inhibitor. | [in vivo]
Single oral administration of Iclepertin induced a dose-dependent increase of glycine cerebrospinal fluid (CSF) levels. Oral administration of Iclepertin in rats induced a dose‐dependent increase of glycine CSF levels from 30% (0.2 mg/kg, not significant) to 78% (2 mg/kg), relative to vehicle[1]. | [IC 50]
GLT1: 5.2 mM (IC50, In rat primary neurons ); GLT1: 5 nM (IC50, In human SK-N-MC cells) |
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