Account 2-(((18S,21S,22R)-22-Amino-21-hydroxy-18-isobutyl-5,17,20-trioxo-23-phenyl-7,10,13-trioxa-4,16,19-triazatricosyl)oxy)-4-((E)-3-(3,5-di-tert-butylphenyl)-3-oxoprop-1-en-1-yl)benzoic acid
- Catalog No. :
- ACYFFN546
- CAS No. :
- 1351169-27-1
- Molecular Formula :
- C51H72N4O11
- Molecular Weight :
- 917.15
IUPAC Name:2-(((18S,21S,22R)-22-amino-21-hydroxy-18-isobutyl-5,17,20-trioxo-23-phenyl-7,10,13-trioxa-4,16,19-triazatricosyl)oxy)-4-((E)-3-(3,5-di-tert-butylphenyl)-3-oxoprop-1-en-1-yl)benzoic acid
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Product Information
| Product Name | 2-(((18S,21S,22R)-22-Amino-21-hydroxy-18-isobutyl-5,17,20-trioxo-23-phenyl-7,10,13-trioxa-4,16,19-triazatricosyl)oxy)-4-((E)-3-(3,5-di-tert-butylphenyl)-3-oxoprop-1-en-1-yl)benzoic acid |
|---|---|
| IUPAC Name | 2-(((18S,21S,22R)-22-amino-21-hydroxy-18-isobutyl-5,17,20-trioxo-23-phenyl-7,10,13-trioxa-4,16,19-triazatricosyl)oxy)-4-((E)-3-(3,5-di-tert-butylphenyl)-3-oxoprop-1-en-1-yl)benzoic acid |
| Molecular Formula | C51H72N4O11 |
| Molecular Weight | 917.15 |
| SMILES | O=C(O)C1=CC=C(/C=C/C(C2=CC(C(C)(C)C)=CC(C(C)(C)C)=C2)=O)C=C1OCCCNC(COCCOCCOCCNC([C@H](CC(C)C)NC([C@@H](O)[C@H](N)CC3=CC=CC=C3)=O)=O)=O |
| InChI Key | ZAOSGDCLGNWLSI-ACALULJJSA-N |
| Synonym | PROTAC RAR Degrader-1;Benzoic acid, 2-[[(18S,21S,22R)-22-amino-21-hydroxy-18-(2-methylpropyl)-5,17,20-trioxo-23-phenyl-7,10,13-trioxa-4,16,19-triazatricos-1-yl]oxy]-4-[(1E)-3-[3,5-bis(1,1-dimethylethyl)phenyl]-3-oxo-1-propen-1-yl]-;2-(((18S,21S,22R)-22-Amino-21-hydroxy-18-isobutyl-5,17,20-trioxo-23-phenyl-7,10,13-trioxa-4,16,19-triazatricosyl)oxy)-4-((E)-3-(3,5-di-tert-butylphenyl)-3-oxoprop-1-en-1-yl)benzoic acid;2-(3-{2-[2-(2-{2-[(2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido]-4-methylpentanamido]ethoxy}ethoxy)ethoxy]acetamido}propoxy)-4-[(1E)-3-(3,5-di-tert-butylphenyl)-3-oxoprop-1-en-1-yl]benzoic acid |
| CAS No. | 1351169-27-1 |
| PubChem CID | 54764325 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319
- Precautionary Statement(s)
- P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
Synthetic Route by SureRoute
2. ACYFFN546 Molecular Building Block Synthetic Route
methyl 2-(((5R,6S,9S)-5-benzyl-1-(9H-fluoren-9-yl)-6-hydroxy-9-isobutyl-3,7,10,22-tetraoxo-2,14,17,20-tetraoxa-4,8,11,23-tetraazahexacosan-26-yl)oxy)-4-((E)-3-(3,5-di-tert-butylphenyl)-3-oxoprop-1-en-1-yl)benzoate