Account Methyl ((2S)-1-((2S)-2-(5-(6-(5-cyclopropylthiophen-2-yl)-1-fluoro-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-benzo[5,6][1,3]oxazino[3,4-a]indol-3-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate
- Catalog No. :
- ACDXEK111
- CAS No. :
- 1620454-56-9
- Molecular Formula :
- C42H47BFN5O6S
- Molecular Weight :
- 779.74
IUPAC Name:methyl ((2S)-1-((2S)-2-(5-(6-(5-cyclopropylthiophen-2-yl)-1-fluoro-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-benzo[5,6][1,3]oxazino[3,4-a]indol-3-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate
![Methyl ((2S)-1-((2S)-2-(5-(6-(5-cyclopropylthiophen-2-yl)-1-fluoro-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-benzo[5,6][1,3]oxazino[3,4-a]indol-3-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | Methyl ((2S)-1-((2S)-2-(5-(6-(5-cyclopropylthiophen-2-yl)-1-fluoro-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-benzo[5,6][1,3]oxazino[3,4-a]indol-3-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate |
|---|---|
| IUPAC Name | methyl ((2S)-1-((2S)-2-(5-(6-(5-cyclopropylthiophen-2-yl)-1-fluoro-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-benzo[5,6][1,3]oxazino[3,4-a]indol-3-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate |
| Molecular Formula | C42H47BFN5O6S |
| Molecular Weight | 779.74 |
| SMILES | O=C(OC)N[C@@H](C(C)C)C(N1[C@H](C2=NC=C(C3=CC(F)=C(C(N4C(C5=CC=C(C6CC6)S5)O7)=CC8=C4C=CC(B9OC(C)(C)C(C)(C)O9)=C8)C7=C3)N2)CCC1)=O |
| InChI Key | QEURDHWSPDYCAY-VXHUOZKCSA-N |
| Synonym | Carbamic acid, N-[(1S)-1-[[(2S)-2-[5-[6-(5-cyclopropyl-2-thienyl)-1-fluoro-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6H-indolo[1,2-c][1,3]benzoxazin-3-yl]-1H-imidazol-2-yl]-1-pyrrolidinyl]carbonyl]-2-methylpropyl]-, methyl ester |
| CAS No. | 1620454-56-9 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Synthetic Route by SureRoute
2. ACDXEK111 Molecular Building Block Synthetic Route
Methyl ((2S)-1-((2S)-2-(5-(10-chloro-6-(5-cyclopropylthiophen-2-yl)-1-fluoro-6H-benzo[5,6][1,3]oxazino[3,4-a]indol-3-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate
methyl (2-((2S)-2-(5-(6-(5-cyclopropylthiophen-2-yl)-1-fluoro-3-(2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-6H-benzo[5,6][1,3]oxazino[3,4-a]indol-10-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-oxoethyl)carbamate
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