Account ITK/TRKA-IN-1
- Catalog No. :
- ACCVXH481
- CAS No. :
- 2655557-54-1
- Molecular Formula :
- C25H30F2N6O2
- Molecular Weight :
- 484.55
IUPAC Name:(S)-N-(2-((4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazol-3-yl)-6-methyl-1H-benzo[d]imidazol-5-yl)-N-methyl-2-morpholinopropanamide
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Product Information
| Product Name | ITK/TRKA-IN-1 |
|---|---|
| IUPAC Name | (S)-N-(2-((4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazol-3-yl)-6-methyl-1H-benzo[d]imidazol-5-yl)-N-methyl-2-morpholinopropanamide |
| Molecular Formula | C25H30F2N6O2 |
| Molecular Weight | 484.55 |
| SMILES | CC1=C(N(C)C(=O)[C@H](C)N2CCOCC2)C=C2N=C(C3=NNC4=C3C[C@@H]3C(F)(F)[C@]3(C)C4)NC2=C1 |
| InChI Key | PWTZWYZDFORBCV-OSZRXVRWSA-N |
| Synonym | 4-Morpholineacetamide, N-[2-[(4aS,5aR)-5,5-difluoro-1,4,4a,5,5a,6-hexahydro-5a-methylcycloprop[f]indazol-3-yl]-5-methyl-1H-benzimidazol-6-yl]-N,α-dimethyl-, (αS)-;ITK/TRKA-IN-1 |
| CAS No. | 2655557-54-1 |
Synthetic Route by SureRoute
2. ACCVXH481 Molecular Building Block Synthetic Route
ITK degrader 2
(S)-N-(2-(6,6-Dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl)-N-methyl-2-morpholinopropanamide
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