Account (5-((((S)-2-((S)-3,3-Dimethyl-2-((S)-2-(methylamino)propanamido)butanoyl)-3-(((R)-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy)methyl)pyrazin-2-yl)methyl (R)-3-(5-amino-4-carbamoyl-3-(4-(2,4-difluorophenoxy)phenyl)-1H-pyrazol-1-yl)piperidine-1-carboxylate
- Catalog No. :
- ACLQEL908
- CAS No. :
- 2669844-82-8
- Molecular Formula :
- C58H65F2N11O8
- Molecular Weight :
- 1082.22
IUPAC Name:(5-((((S)-2-((S)-3,3-dimethyl-2-((S)-2-(methylamino)propanamido)butanoyl)-3-(((R)-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy)methyl)pyrazin-2-yl)methyl (R)-3-(5-amino-4-carbamoyl-3-(4-(2,4-difluorophenoxy)phenyl)-1H-pyrazol-1-yl)piperidine-1-carboxylate
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Product Information
| Product Name | (5-((((S)-2-((S)-3,3-Dimethyl-2-((S)-2-(methylamino)propanamido)butanoyl)-3-(((R)-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy)methyl)pyrazin-2-yl)methyl (R)-3-(5-amino-4-carbamoyl-3-(4-(2,4-difluorophenoxy)phenyl)-1H-pyrazol-1-yl)piperidine-1-carboxylate |
|---|---|
| IUPAC Name | (5-((((S)-2-((S)-3,3-dimethyl-2-((S)-2-(methylamino)propanamido)butanoyl)-3-(((R)-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy)methyl)pyrazin-2-yl)methyl (R)-3-(5-amino-4-carbamoyl-3-(4-(2,4-difluorophenoxy)phenyl)-1H-pyrazol-1-yl)piperidine-1-carboxylate |
| Molecular Formula | C58H65F2N11O8 |
| Molecular Weight | 1082.22 |
| SMILES | C(N)(=O)C=1C(=NN(C1N)[C@]2(CN(C(OCC=3C=NC(COC=4C=C5C(=CC4)C[C@@H](C(N[C@H]6C=7C(CCC6)=CC=CC7)=O)N(C([C@@H](NC([C@@H](NC)C)=O)[C@@](C)(C)C)=O)C5)=CN3)=O)CCC2)[H])C8=CC=C(OC9=C(F)C=C(F)C=C9)C=C8 |
| InChI Key | PTEVOZUKHQQUNI-DLUJOBAXSA-N |
| Synonym | BCPyr;1-Piperidinecarboxylic acid, 3-[5-amino-4-(aminocarbonyl)-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl]-, [5-[[[(3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]-1,2,3,4-tetrahydro-3-[[[(1R)-1,2,3,4-tetrahydro-1-naphthalenyl]amino]carbonyl]-7-isoquinolinyl]oxy]methyl]-2-pyrazinyl]methyl ester, (3R)-;1-Piperidinecarboxylic acid, 3-[5-amino-4-(aminocarbonyl)-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl]-, [5-[[[(3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]-1,2,3,4-tetrahydro-3-[[[(1R)-1,2,3,4-tetrahydro-1-naphthalenyl]amino]carbonyl]-7-isoquinolinyl]oxy]me... |
| CAS No. | 2669844-82-8 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACLQEL908 Molecular Building Block Synthetic Route
PROTAC BTK Degrader-2
5-Amino-3-(4-(2,4-difluorophenoxy)phenyl)-1-((3R)-1-(17-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)-3,6,9,12,15-pentaoxaheptadecan-1-oyl)piperidin-3-yl)-1H-pyrazole-4-carboxamide
(R,R')-2,2''-Bis(diphenylphosphino)-1,1''-biferrocene