Account 4-((2S,3S)-8-Cyano-5-((2-methoxynaphthalen-1-yl)methyl)-2-methyl-3-((S)-2-(methylamino)propanamido)-4-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-1-carbonyl)-N-(2-(2-(2-((2-(4-((E)-1-(4-hydroxyphenyl)-2-phenylbut-1-en-1-yl)phenoxy)ethyl)(methyl)amino)-2-oxoethoxy)ethoxy)ethyl)benzamide
- Catalog No. :
- ACGAAC694
- CAS No. :
- 2417369-94-7
- Molecular Formula :
- C66H69N7O10
- Molecular Weight :
- 1120.32
IUPAC Name:4-((2S,3S)-8-cyano-5-((2-methoxynaphthalen-1-yl)methyl)-2-methyl-3-((S)-2-(methylamino)propanamido)-4-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-1-carbonyl)-N-(2-(2-(2-((2-(4-((E)-1-(4-hydroxyphenyl)-2-phenylbut-1-en-1-yl)phenoxy)ethyl)(methyl)amino)-2-oxoethoxy)ethoxy)ethyl)benzamide
![4-((2S,3S)-8-Cyano-5-((2-methoxynaphthalen-1-yl)methyl)-2-methyl-3-((S)-2-(methylamino)propanamido)-4-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-1-carbonyl)-N-(2-(2-(2-((2-(4-((E)-1-(4-hydroxyphenyl)-2-phenylbut-1-en-1-yl)phenoxy)ethyl)(methyl)amino)-2-oxoethoxy)ethoxy)ethyl)benzamide structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 4-((2S,3S)-8-Cyano-5-((2-methoxynaphthalen-1-yl)methyl)-2-methyl-3-((S)-2-(methylamino)propanamido)-4-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-1-carbonyl)-N-(2-(2-(2-((2-(4-((E)-1-(4-hydroxyphenyl)-2-phenylbut-1-en-1-yl)phenoxy)ethyl)(methyl)amino)-2-oxoethoxy)ethoxy)ethyl)benzamide |
|---|---|
| IUPAC Name | 4-((2S,3S)-8-cyano-5-((2-methoxynaphthalen-1-yl)methyl)-2-methyl-3-((S)-2-(methylamino)propanamido)-4-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-1-carbonyl)-N-(2-(2-(2-((2-(4-((E)-1-(4-hydroxyphenyl)-2-phenylbut-1-en-1-yl)phenoxy)ethyl)(methyl)amino)-2-oxoethoxy)ethoxy)ethyl)benzamide |
| Molecular Formula | C66H69N7O10 |
| Molecular Weight | 1120.32 |
| SMILES | CC/C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCNC(=O)C2=CC=C(C(=O)N3C4=CC(C#N)=CC=C4N(CC4=C(OC)C=CC5=C4C=CC=C5)C(=O)[C@@H](NC(=O)[C@H](C)NC)[C@@H]3C)C=C2)C=C1)C1=CC=CC=C1 |
| InChI Key | SNBOCOFSYPHJLP-OOYOPAHASA-N |
| Synonym | Benzamide, 4-[[(2S,3S)-8-cyano-2,3,4,5-tetrahydro-5-[(2-methoxy-1-naphthalenyl)methyl]-2-methyl-3-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-4-oxo-1H-1,5-benzodiazepin-1-yl]carbonyl]-N-[2-[2-[2-[[2-[4-[1-(4-hydroxyphenyl)-2-phenyl-1-buten-1-yl]phenoxy]ethyl]methylamino]-2-oxoethoxy]ethoxy]ethyl]-;PROTAC ERα Degrader-1 |
| CAS No. | 2417369-94-7 |
Synthetic Route by SureRoute
2. ACGAAC694 Molecular Building Block Synthetic Route
tert-Butyl ((S)-1-(((3S,4S)-7-cyano-5-(4-((2-(2-(2-((2-(4-((E)-1-(4-hydroxyphenyl)-2-phenylbut-1-en-1-yl)phenoxy)ethyl)(methyl)amino)-2-oxoethoxy)ethoxy)ethyl)carbamoyl)benzoyl)-1-((2-methoxynaphthalen-1-yl)methyl)-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-ben
PAC
4-((2S,3S)-3-((S)-2-((tert-butoxycarbonyl)(methyl)amino)propanamido)-8-cyano-5-((2-methoxynaphthalen-1-yl)methyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-1-carbonyl)benzoic acid