Account Tak 187
- Catalog No. :
- ACTBYZ287
- CAS No. :
- 155432-64-7
- Molecular Formula :
- C23H20F6N6O3
- Molecular Weight :
- 542.44
IUPAC Name:2-(3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)-4-(4-(2,2,3,3-tetrafluoropropoxy)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
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Product Information
| Product Name | Tak 187 |
|---|---|
| IUPAC Name | 2-(3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)-4-(4-(2,2,3,3-tetrafluoropropoxy)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Formula | C23H20F6N6O3 |
| Molecular Weight | 542.44 |
| SMILES | CC(N1N=CN(C2=CC=C(OCC(F)(F)C(F)F)C=C2)C1=O)C(O)(CN1C=NC=N1)C1=CC=C(F)C=C1F |
| InChI Key | CBHTUKXHISWMTH-UHFFFAOYSA-N |
| Synonym | 2-(2-(2,4-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl)-4-(4-(2,2,3,3- tetrafluoropropoxy)phenyl)- 3(2H,4H)-1,2,4-triazolone;TAK 187;3H-1,2,4-Triazol-3-one, 2-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-2,4-dihydro-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]- |
| CAS No. | 155432-64-7 |
Synthetic Route by SureRoute
2. ACTBYZ287 Molecular Building Block Synthetic Route
4-(4-((2-((4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)amino)ethyl)amino)phenyl)-2-((2S,3S)-2-hydroxypentan-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
4-(4-(4-(4-(((3S,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-((2S,3S)-2-hydroxypentan-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
rel-(3S,5S)-4-(4-(4-(4-((5-((1H-1,2,4-Triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-((2R,3R)-2-hydroxypentan-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one