Account (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
- Catalog No. :
- ACTOBP921
- CAS No. :
- 2384184-42-1
- Molecular Formula :
- C50H63ClF3N5O12
- Molecular Weight :
- 1018.52
IUPAC Name:(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
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| Molecular Formula | C50H63ClF3N5O12 |
| Molecular Weight | 1018.52 |
| SMILES | O=C([C@H]1N(CCCC1)C(C(C(C)(C)CC)=O)=O)O[C@@H](C2=CC(NC(CCOCCOCCNC(CCNC(C3=CC(NC(CCl)=O)=CC(C(F)(F)F)=C3)=O)=O)=O)=CC=C2)CCC4=CC(OC)=C(C=C4)OC |
| InChI Key | JXTWMUOLYMSLIA-ZESVVUHVSA-N |
| Synonym | 2-Piperidinecarboxylic acid, 1-(3,3-dimethyl-1,2-dioxopentyl)-, (1R)-1-[3-[[15-[3-[(2-chloroacetyl)amino]-5-(trifluoromethyl)phenyl]-1,11,15-trioxo-4,7-dioxa-10,14-diazapentadec-1-yl]amino]phenyl]-3-(3,4-dimethoxyphenyl)propyl ester, (2S)-;(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, Electrophilic PROTAC?, Heterobifunctional conjugate for E3 ubiquitin ligase discovery;(1R)-1-[3-(3-{2-[2-(3-{[3-(2-chloroacetamido)-5-(trifluoromethyl)phenyl]formamido}propanamido)ethoxy]ethoxy}propanamido)phenyl]-3-(3,4-dimethoxyphenyl)propyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate |
| CAS No. | 2384184-42-1 |
Synthetic Route by SureRoute
2. ACTOBP921 Molecular Building Block Synthetic Route
(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
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