Account 1-((R)-9-((S)-2-Chloro-6-hydroxyphenyl)-10-fluoro-8-(prop-1-yn-1-yl)-3,4,12,12a-tetrahydro-6H-benzo[f]pyrazino[2,1-c][1,4]oxazepin-2(1H)-yl)prop-2-en-1-one
- Catalog No. :
- ACUYEO790
- CAS No. :
- 2489226-14-2
- Molecular Formula :
- C24H22ClFN2O3
- Molecular Weight :
- 440.90
IUPAC Name:1-((12aR)-9-(2-chloro-6-hydroxyphenyl)-10-fluoro-8-(prop-1-yn-1-yl)-3,4,12,12a-tetrahydro-6H-benzo[f]pyrazino[2,1-c][1,4]oxazepin-2(1H)-yl)prop-2-en-1-one
![1-((R)-9-((S)-2-Chloro-6-hydroxyphenyl)-10-fluoro-8-(prop-1-yn-1-yl)-3,4,12,12a-tetrahydro-6H-benzo[f]pyrazino[2,1-c][1,4]oxazepin-2(1H)-yl)prop-2-en-1-one structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 1-((R)-9-((S)-2-Chloro-6-hydroxyphenyl)-10-fluoro-8-(prop-1-yn-1-yl)-3,4,12,12a-tetrahydro-6H-benzo[f]pyrazino[2,1-c][1,4]oxazepin-2(1H)-yl)prop-2-en-1-one |
|---|---|
| IUPAC Name | 1-((12aR)-9-(2-chloro-6-hydroxyphenyl)-10-fluoro-8-(prop-1-yn-1-yl)-3,4,12,12a-tetrahydro-6H-benzo[f]pyrazino[2,1-c][1,4]oxazepin-2(1H)-yl)prop-2-en-1-one |
| Molecular Formula | C24H22ClFN2O3 |
| Molecular Weight | 440.90 |
| SMILES | C=CC(=O)N1CCN2CC3=CC(C#CC)=C(C4=C(O)C=CC=C4Cl)C(F)=C3OC[C@H]2C1 |
| InChI Key | CNQOLVBNICGIJB-QGZVFWFLSA-N |
| Synonym | AZD4747;1-((R)-9-((S)-2-Chloro-6-hydroxyphenyl)-10-fluoro-8-(prop-1-yn-1-yl)-3,4,12,12a-tetrahydro-6H-benzo[f]pyrazino[2,1-c][1,4]oxazepin-2(1H)-yl)prop-2-en-1-one;2-Propen-1-one, 1-[(9aS,12aR)-9-(2-chloro-6-hydroxyphenyl)-10-fluoro-3,4,12,12a-tetrahydro-8-(1-propyn-1-yl)-6H-pyrazino[2,1-c][1,4]benzoxazepin-2(1H)-yl]-;1-[(9aS,12aR)-9-(2-Chloro-6-hydroxyphenyl)-10-fluoro-3,4,12,12a-tetrahydro-8-(1-propyn-1-yl)-6H-pyrazino[2,1-c][1,4]benzoxazepin-2(1H)-yl]-2-propen-1-one;ABC-259266 |
| CAS No. | 2489226-14-2 |
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. ACUYEO790 Molecular Building Block Synthetic Route
tert-Butyl (R)-9-bromo-10-fluoro-8-(prop-1-yn-1-yl)-3,4,12,12a-tetrahydro-6H-benzo[f]pyrazino[2,1-c][1,4]oxazepine-2(1H)-carboxylate
KRAS G12C inhibitor 18
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