Account (R)-1-(3-(1-(4-(N-(4-Bromophenyl)acrylamido)phenyl)-1-oxo-5,8,11-trioxa-2-azatetradecan-14-amido)phenyl)-3-(3,4-dimethoxyphenyl)propyl (S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
- Catalog No. :
- ACGCWY087
- CAS No. :
- 2384184-43-2
- Molecular Formula :
- C55H67BrN4O12
- Molecular Weight :
- 1056.06
IUPAC Name:(R)-1-(3-(1-(4-(N-(4-bromophenyl)acrylamido)phenyl)-1-oxo-5,8,11-trioxa-2-azatetradecan-14-amido)phenyl)-3-(3,4-dimethoxyphenyl)propyl (S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
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Product Information
| Product Name | (R)-1-(3-(1-(4-(N-(4-Bromophenyl)acrylamido)phenyl)-1-oxo-5,8,11-trioxa-2-azatetradecan-14-amido)phenyl)-3-(3,4-dimethoxyphenyl)propyl (S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate |
|---|---|
| IUPAC Name | (R)-1-(3-(1-(4-(N-(4-bromophenyl)acrylamido)phenyl)-1-oxo-5,8,11-trioxa-2-azatetradecan-14-amido)phenyl)-3-(3,4-dimethoxyphenyl)propyl (S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate |
| Molecular Formula | C55H67BrN4O12 |
| Molecular Weight | 1056.06 |
| SMILES | C=CC(N(C1=CC=C(C=C1)Br)C2=CC=C(C=C2)C(NCCOCCOCCOCCC(NC3=CC([C@@H](CCC4=CC(OC)=C(C=C4)OC)OC([C@H]5N(CCCC5)C(C(C(C)(C)CC)=O)=O)=O)=CC=C3)=O)=O)=O |
| InChI Key | BPYMHGDOEARLOM-CRCOQUFZSA-N |
| Synonym | KB05-SLF;2-Piperidinecarboxylic acid, 1-(3,3-dimethyl-1,2-dioxopentyl)-, (1R)-1-[3-[[14-[4-[(4-bromophenyl)(1-oxo-2-propen-1-yl)amino]phenyl]-1,14-dioxo-4,7,10-trioxa-13-azatetradec-1-yl]amino]phenyl]-3-(3,4-dimethoxyphenyl)propyl ester, (2S)-;(R)-1-(3-(1-(4-(N-(4-Bromophenyl)acrylamido)phenyl)-1-oxo-5,8,11-trioxa-2-azatetradecan-14-amido)phenyl)-3-(3,4-dimethoxyphenyl)propyl (S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate, Electrophilic PROTAC?, Heterobifunctional conjugate for E3 ubiquitin ligase discovery;(1R)-1-{3-[3-(2-{2-[2-({4-[N-(4-bromophenyl)prop-2-enamido]phenyl}formamido)ethoxy]ethoxy}ethoxy)propanamido]phenyl}-3-(3,4-dimethoxyphenyl)propyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate |
| CAS No. | 2384184-43-2 |
Synthetic Route by SureRoute
2. ACGCWY087 Molecular Building Block Synthetic Route
(R)-1-(3-(1-(3-(2-Chloroacetamido)-5-(trifluoromethyl)phenyl)-1,5-dioxo-9,12-dioxa-2,6-diazapentadecan-15-amido)phenyl)-3-(3,4-dimethoxyphenyl)propyl (S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
TSPO ligand-3
4-((3-((R)-3-(3,4-Dimethoxyphenyl)-1-(((S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl)oxy)propyl)phenyl)amino)-4-oxobutanoic acid