Account S-(1-(((((3R,5S)-1-((S)-15-(tert-Butyl)-1-(4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulen-6-yl)-1,13-dioxo-5,8,11-trioxa-2,14-diazahexadecan-16-oyl)-5-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-3-yl)oxy)carbonyl)oxy)-2-methylpropan-2-yl) methanesulfonothioate
- Catalog No. :
- ACUPEI404
- CAS No. :
- 2417370-42-2
- Molecular Formula :
- C59H71F2N9O15S4
- Molecular Weight :
- 1312.53
IUPAC Name:S-(1-(((((3R,5S)-1-((S)-15-(tert-butyl)-1-(4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulen-6-yl)-1,13-dioxo-5,8,11-trioxa-2,14-diazahexadecan-16-oyl)-5-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-3-yl)oxy)carbonyl)oxy)-2-methylpropan-2-yl) methanesulfonothioate
![S-(1-(((((3R,5S)-1-((S)-15-(tert-Butyl)-1-(4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulen-6-yl)-1,13-dioxo-5,8,11-trioxa-2,14-diazahexadecan-16-oyl)-5-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-3-yl)oxy)carbonyl)oxy)-2-methylpropan-2-yl) methanesulfonothioate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | S-(1-(((((3R,5S)-1-((S)-15-(tert-Butyl)-1-(4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulen-6-yl)-1,13-dioxo-5,8,11-trioxa-2,14-diazahexadecan-16-oyl)-5-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-3-yl)oxy)carbonyl)oxy)-2-methylpropan-2-yl) methanesulfonothioate |
|---|---|
| IUPAC Name | S-(1-(((((3R,5S)-1-((S)-15-(tert-butyl)-1-(4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulen-6-yl)-1,13-dioxo-5,8,11-trioxa-2,14-diazahexadecan-16-oyl)-5-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-3-yl)oxy)carbonyl)oxy)-2-methylpropan-2-yl) methanesulfonothioate |
| Molecular Formula | C59H71F2N9O15S4 |
| Molecular Weight | 1312.53 |
| SMILES | O=C1C2=C3C(C=4C(N(CC3=CN2)C5=C(F)C=C(F)C=N5)=CC(C(NCCOCCOCCOCC(N[C@H](C(=O)N6[C@H](C(NCC7=CC=C(C=C7)C8=C(C)N=CS8)=O)C[C@@H](OC(OCC(SS(C)(=O)=O)(C)C)=O)C6)C(C)(C)C)=O)=O)=C(CS(C)(=O)=O)C4)=CN1C |
| InChI Key | YJTABYQWTJXVHI-DEYDXPIJSA-N |
| Synonym | PROTAC BRD4 Degrader-9 |
| CAS No. | 2417370-42-2 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Synthetic Route by SureRoute
2. ACUPEI404 Molecular Building Block Synthetic Route
S-(3-(((((3R,5S)-1-((S)-15-(tert-Butyl)-1-(4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulen-6-yl)-1,13-dioxo-5,8,11-trioxa-2,14-diazahexadecan-16-oyl)-5-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-3-yl)oxy)carbonyl)oxy)butan-2-yl) methanesulfonothioate
S-((R)-1-(((((3R,5S)-1-((S)-2-(11-(7-(3,5-Difluoropyridin-2-yl)-2-methyl-10-((methylsulfonyl)methyl)-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxamido)undecanamido)-3,3-dimethylbutanoyl)-5-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-3-yl)oxy)carbonyl)oxy)propan-2-yl) methanesulfonothioate
S-(3-(((((3R,5S)-1-((S)-2-(11-(4-(3,5-Difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxamido)undecanamido)-3,3-dimethylbutanoyl)-5-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-3-yl)oxy)carbonyl)oxy)butan-2-yl) methanesulfonothioate