(S)-(5-(methylsulfonyl)-2-(1,1,1-trifluoropropan-2-yloxy)phenyl)(3-(trifluoromethyl)-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)methanone

Modify Date: 2026-06-27 19:54:20

(S)-(5-(methylsulfonyl)-2-(1,1,1-trifluoropropan-2-yloxy)phenyl)(3-(trifluoromethyl)-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)methanone Structure
(S)-(5-(methylsulfonyl)-2-(1,1,1-trifluoropropan-2-yloxy)phenyl)(3-(trifluoromethyl)-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)methanone structure
Common Name (S)-(5-(methylsulfonyl)-2-(1,1,1-trifluoropropan-2-yloxy)phenyl)(3-(trifluoromethyl)-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)methanone
CAS Number 905269-86-5 Molecular Weight 482.4
Density N/A Boiling Point N/A
Molecular Formula C19H16F6N2O4S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name (S)-(5-(methylsulfonyl)-2-(1,1,1-trifluoropropan-2-yloxy)phenyl)(3-(trifluoromethyl)-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)methanone

 Chemical & Physical Properties

Molecular Formula C19H16F6N2O4S
Molecular Weight 482.4
InChIKey DSFRGIKAQFSVOE-JTQLQIEISA-N
SMILES C[C@@H](C(F)(F)F)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CC3=C(C2)N=CC(=C3)C(F)(F)F

 Bioassay

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Name: Intrinsic clearance in rat liver microsomes assessed per mg of protein
Source: ChEMBL
Target: Liver microsomes
External Id: CHEMBL1639785
Name: Induction of GlyT1-mediated glycine uptake in rat striatum assessed as increase of gl...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL1639786
Name: Induction of GlyT1-mediated glycine uptake in rat striatum assessed as increase of gl...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL1639787
Name: Drug level in rat plasma at 10 mg/kg after 3 hrs
Source: ChEMBL
Target: Plasma
External Id: CHEMBL1639788
Name: Drug level in rat brain at 10 mg/kg after 3 hrs
Source: ChEMBL
Target: Brain
External Id: CHEMBL1639789
Name: Aqueous solubility of the compound by lyophilisate solubility assay
Source: ChEMBL
Target: N/A
External Id: CHEMBL1639758
Name: Ratio of drug uptake in rat brain to EC50 for human GlyT1
Source: ChEMBL
Target: Nucleic Acid
External Id: CHEMBL1639790
Name: Inhibition of human GlyT1 expressed in CHO cells assessed as inhibition of [3H]glycin...
Source: ChEMBL
Target: Sodium- and chloride-dependent glycine transporter 1
External Id: CHEMBL1639759
Name: Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycin...
Source: ChEMBL
Target: Sodium- and chloride-dependent glycine transporter 2
External Id: CHEMBL1639760
Name: Terminal half life in rat at 2 mg/kg, po
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL1639778
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