| Identification | Back Directory | [Name]
(S)-N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-7-isopropyl-6-(((1r,4S)-4-(trifluoromethyl)cyclohexyl)methyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide | [CAS]
1802706-04-2 | [Synonyms]
RORγ-IN-1
Vimirogant
(S)-N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-7-isopropyl-6-(((1r,4S)-4-(trifluoromethyl)cyclohexyl)methyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide
(7R)-7-Isopropyl-6-(trans-4-trifluoromethyl-cyclohexylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxylic acid (5-ethanesulfonyl-pyridin-2-ylmethyl)-amide
(7S)-N-[[5-(Ethylsulfonyl)-2-pyridinyl]methyl]-6,7-dihydro-7-(1-methylethyl)-6-[[trans-4-(trifluoromethyl)cyclohexyl]methyl]-5H-Pyrrolo[3,4-b]pyridine-3-carboxamide
5H-Pyrrolo[3,4-b]pyridine-3-carboxamide, N-[[5-(ethylsulfonyl)-2-pyridinyl]methyl]-6,7-dihydro-7-(1-methylethyl)-6-[[trans-4-(trifluoromethyl)cyclohexyl]methyl]-, (7S)- | [Molecular Formula]
C27H35F3N4O3S | [MOL File]
1802706-04-2.mol | [Molecular Weight]
552.65 |
| Chemical Properties | Back Directory | [Boiling point ]
659.4±55.0 °C(Predicted) | [density ]
1.254±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
Soluble in DMSO | [pka]
12.74±0.40(Predicted) |
| Hazard Information | Back Directory | [Uses]
(7S)-N-[[5-(Ethylsulfonyl)-2-pyridinyl]methyl]-6,7-dihydro-7-(1-methylethyl)-6-[[trans-4-(trifluoromethyl)cyclohexyl]methyl]-5H-Pyrrolo[3,4-b]pyridine-3-carboxamide, is an RORγt inhibitors as potential back-ups for the phase II candidate VTP-43742 from Vitae Pharmaceuticals, extracted from patents: WO2016061160 and US20160122345. | [in vivo]
In the MOG35-55/CFA immunized mouse EAE model, Vimirogant (p.o.) significantly suppresses clinical symptoms, demyelination and mRNA expression of multiple inflammatory markers in the spinal cord[1]. | [IC 50]
RORγt: 3.5 nM (Ki); RORγt: 17 nM (IC50) | [storage]
Store at -20°C |
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