Account Isopropyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
- Catalog No. :
- ACYIHU514
- CAS No. :
- 629664-81-9
- Molecular Formula :
- C25H24F2N2O3
- Molecular Weight :
- 438.47
IUPAC Name:isopropyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
![Isopropyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | Isopropyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate |
|---|---|
| IUPAC Name | isopropyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate |
| MDL No. | MFCD13181507 |
| Molecular Formula | C25H24F2N2O3 |
| Molecular Weight | 438.47 |
| SMILES | CC(C)OC(=O)C1=CN(CC(C)(C)C2=C1NC1=C2C=CC=C1)C(=O)C1=CC=C(F)C(F)=C1 |
| InChI Key | INASOKQDNHHMRE-UHFFFAOYSA-N |
| Synonym | WAY 362450 | AS-55045 | s2694 | WAY-362450; XL335; FXR-450 | XL 335 | isopropyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate | FXR-450 | HMS3744M03 | Isopropyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetra |
| CAS No. | 629664-81-9 |
| PubChem CID | 10026128 |
Synthetic Route by SureRoute
2. ACYIHU514 Molecular Building Block Synthetic Route
Isopropyl 1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
Ethyl 1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
4-((2S)-2-((2S)-2-(6-(3-((3-(((3R,4R,5S,6R)-2-((26-((S)-10-benzyl-1-(((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)amino)-1,6,9,12,15-pentaoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-yl)-27-oxo-2,5,8,11,14,17,20,23-octaoxa-29-thia-26-azadotriacontan-32-yl)oxy)-3-(4-(24-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3,19-dioxo-6,9,12,15-tetraoxa-2,18-diazatetracosyl)-1H-1,2,3-triazol-1-yl)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)propyl)thio)-2,5-dioxopyrrolidin-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl ((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate