Account 4-((S)-3-Acryloyl-8-chloro-10-fluoro-12-oxo-2,3,4,4a,5,6-hexahydro-1H,12H-benzo[b]pyrazino[1,2-e][1,5]oxazocin-9-yl)-2-amino-7-fluorobenzo[b]thiophene-3-carbonitrile
- Catalog No. :
- ACXDTY923
- CAS No. :
- 2649788-46-3
- Molecular Formula :
- C25H19ClF2N4O3S
- Molecular Weight :
- 528.97
IUPAC Name:4-((S)-3-acryloyl-8-chloro-10-fluoro-12-oxo-2,3,4,4a,5,6-hexahydro-1H,12H-benzo[b]pyrazino[1,2-e][1,5]oxazocin-9-yl)-2-amino-7-fluorobenzo[b]thiophene-3-carbonitrile
![4-((S)-3-Acryloyl-8-chloro-10-fluoro-12-oxo-2,3,4,4a,5,6-hexahydro-1H,12H-benzo[b]pyrazino[1,2-e][1,5]oxazocin-9-yl)-2-amino-7-fluorobenzo[b]thiophene-3-carbonitrile structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 4-((S)-3-Acryloyl-8-chloro-10-fluoro-12-oxo-2,3,4,4a,5,6-hexahydro-1H,12H-benzo[b]pyrazino[1,2-e][1,5]oxazocin-9-yl)-2-amino-7-fluorobenzo[b]thiophene-3-carbonitrile |
|---|---|
| IUPAC Name | 4-((S)-3-acryloyl-8-chloro-10-fluoro-12-oxo-2,3,4,4a,5,6-hexahydro-1H,12H-benzo[b]pyrazino[1,2-e][1,5]oxazocin-9-yl)-2-amino-7-fluorobenzo[b]thiophene-3-carbonitrile |
| Molecular Formula | C25H19ClF2N4O3S |
| Molecular Weight | 528.97 |
| SMILES | N#CC1=C(N)SC2=C(F)C=CC(C3=C(F)C=C4C(OCC[C@](CN(C(C=C)=O)CC5)([H])N5C4=O)=C3Cl)=C21 |
| InChI Key | OZUPICRWMLEFCS-LBPRGKRZSA-N |
| Synonym | Benzo[b]thiophene-3-carbonitrile, 2-amino-4-[(4aS)-8-chloro-10-fluoro-2,3,4,4a,5,6-hexahydro-12-oxo-3-(1-oxo-2-propen-1-yl)-1H,12H-pyrazino[2,1-d][1,5]benzoxazocin-9-yl]-7-fluoro-;KRAS G12C inhibitor 19;4-((S)-3-Acryloyl-8-chloro-10-fluoro-12-oxo-2,3,4,4a,5,6-hexahydro-1H,12H-benzo[b]pyrazino[1,2-e][1,5]oxazocin-9-yl)-2-amino-7-fluorobenzo[b]thiophene-3-carbonitrile;LY3537982 (KRAS G12C inhibitor 19) |
| CAS No. | 2649788-46-3 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319
- Precautionary Statement(s)
- P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
Synthetic Route by SureRoute
2. ACXDTY923 Molecular Building Block Synthetic Route
4-(3-acryloyl-8-chloro-10-fluoro-12-oxo-2,3,4,4a,5,6-hexahydro-1H,12H-benzo[b]pyrazino[1,2-e][1,5]oxazocin-9-yl)-2-amino-7-fluorobenzo[b]thiophene-3-carbonitrile
KRAS G12C inhibitor 18
4-(4-((2S,5R)-4-Acryloyl-2,5-dimethylpiperazin-1-yl)-8-fluoro-2-(((2R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)-6-(trifluoromethyl)quinazolin-7-yl)-2-amino-7-fluorobenzo[b]thiophene-3-carbonitrile