Account KRAS G12C inhibitor 58
- Catalog No. :
- ACULME654
- CAS No. :
- 2915599-52-7
- Molecular Formula :
- C51H64ClF4N9O8S
- Molecular Weight :
- 1074.64
IUPAC Name:(Z)-1-(2-chloro-2-fluoroacetyl)-N-(1-((12-(2-(1-methoxyethyl)-5-morpholinopyridin-3-yl)-10,10-dimethyl-5,7-dioxo-11-(2,2,2-trifluoroethyl)-61,62,63,64,65,66-hexahydro-11H-8-oxa-2(4,2)-thiazola-1(5,3)-indola-6(1,3)-pyridazinacycloundecaphane-4-yl)amino)-3-methyl-1-oxobutan-2-yl)-N-methylpyrrolidine-3-carboxamide
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Product Information
| Product Name | KRAS G12C inhibitor 58 |
|---|---|
| IUPAC Name | (Z)-1-(2-chloro-2-fluoroacetyl)-N-(1-((12-(2-(1-methoxyethyl)-5-morpholinopyridin-3-yl)-10,10-dimethyl-5,7-dioxo-11-(2,2,2-trifluoroethyl)-61,62,63,64,65,66-hexahydro-11H-8-oxa-2(4,2)-thiazola-1(5,3)-indola-6(1,3)-pyridazinacycloundecaphane-4-yl)amino)-3-methyl-1-oxobutan-2-yl)-N-methylpyrrolidine-3-carboxamide |
| Molecular Formula | C51H64ClF4N9O8S |
| Molecular Weight | 1074.64 |
| SMILES | O=C1OCC(C)(C)CC=2C3=CC(=CC=C3N(C2C4=CC(=CN=C4C(OC)C)N5CCOCC5)CC(F)(F)F)C=6N=C(SC6)CC(NC(=O)C(N(C(=O)C7CN(C(=O)C(F)Cl)CC7)C)C(C)C)C(=O)N8NC1CCC8 |
| InChI Key | KDHLCKSULTVNFP-UHFFFAOYSA-N |
| Synonym | KRAS G12C inhibitor 58 |
| CAS No. | 2915599-52-7 |
Synthetic Route by SureRoute
2. ACULME654 Molecular Building Block Synthetic Route
(1α,5α,6α)-N-[(2R,14S,18S)-2-[5-(4-Cyclopropyl-1-piperazinyl)-2-[(1S)-1-methoxyethyl]-3-pyridinyl]-1-ethyl-18,19,20,21-tetrahydro-25,25-dimethyl-15,22-dioxo-17H-5,3-([4,2]-endo-thiazolopropano[1,3]-endo-pyridazinomethanoxypropano)-1H-indol-14-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
(1S,2S)-N-[(2R,14S,18S)-1-Ethyl-18,19,20,21-tetrahydro-2-[2-[(1S)-1-methoxyethyl]-5-(4-methyl-1-piperazinyl)-3-pyridinyl]-25,25-dimethyl-15,22-dioxo-17H-5,3-([4,2]-endo-thiazolopropano[1,3]-endo-pyridazinomethanoxypropano)-1H-indol-14-yl]-2-methyl-cyclopropanecarboxamide
N-(11-ethyl-12-(2-(1-methoxyethyl)-5-(piperazin-1-yl)pyridin-3-yl)-10,10-dimethyl-5,7-dioxo-61,62,63,64,65,66-hexahydro-11H-8-oxa-2(4,2)-thiazola-1(5,3)-indola-6(1,3)-pyridazinacycloundecaphane-4-yl)-2-methylcyclopropane-1-carboxamide