Account (2S,4R)-N-(2-(2-(4-((4-(3-Amino-6-(2-hydroxyphenyl)pyridazin-4-yl)piperazin-1-yl)methyl)phenoxy)ethoxy)-4-(4-methylthiazol-5-yl)benzyl)-1-((S)-2-(1-fluorocyclopropane-1-carboxamido)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
- Catalog No. :
- ACVOAW230
- CAS No. :
- 2375564-55-7
- Molecular Formula :
- C49H58FN9O7S
- Molecular Weight :
- 936.12
IUPAC Name:(2S,4R)-N-(2-(2-(4-((4-(3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl)piperazin-1-yl)methyl)phenoxy)ethoxy)-4-(4-methylthiazol-5-yl)benzyl)-1-((S)-2-(1-fluorocyclopropane-1-carboxamido)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
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Product Information
| Product Name | (2S,4R)-N-(2-(2-(4-((4-(3-Amino-6-(2-hydroxyphenyl)pyridazin-4-yl)piperazin-1-yl)methyl)phenoxy)ethoxy)-4-(4-methylthiazol-5-yl)benzyl)-1-((S)-2-(1-fluorocyclopropane-1-carboxamido)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide |
|---|---|
| IUPAC Name | (2S,4R)-N-(2-(2-(4-((4-(3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl)piperazin-1-yl)methyl)phenoxy)ethoxy)-4-(4-methylthiazol-5-yl)benzyl)-1-((S)-2-(1-fluorocyclopropane-1-carboxamido)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide |
| MDL No. | MFCD32689497 |
| Molecular Formula | C49H58FN9O7S |
| Molecular Weight | 936.12 |
| SMILES | CC(N=CS1)=C1C2=CC=C(CNC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC(C4(CC4)F)=O)=O)=O)C(OCCOC5=CC=C(CN6CCN(C7=CC(C8=C(O)C=CC=C8)=NN=C7N)CC6)C=C5)=C2 |
| InChI Key | IVARZBJJMMUJHI-SQKKEFIPSA-N |
| Synonym | ACBI1;PROTACs,anti-proliferative,ACBI 1,Epigenetic Reader Domain,ACBI1,Inhibitor,Apoptosis,inhibit,ACBI-1;N-[(1-Fluorocyclopropyl)carbonyl]-3-methyl-L-valyl-(4R)-N-[2-{2-[4-({4-[3-amino-6-(2-hydroxyphenyl)-4-pyridazinyl]-1-piperazinyl}methyl)phenoxy]ethoxy}-4-(4-methyl-1,3-thiazol-5-yl)benzyl]-4-hydroxy-L-prolinamide;(2S,4R)-N-(2-(2-(4-((4-(3-Amino-6-(2-hydroxyphenyl)pyridazin-4-yl)piperazin-1-yl)methyl)phenoxy)ethoxy)-4-(4-methylthiazol-5-yl)benzyl)-1-((S)-2-(1-fluorocyclopropane-1-carboxamido)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;(2S,4R)-N-(2-(2-(4-((4-(3-Amino-6-(2-hydroxyphenyl)pyridazin-4-yl)piperazin-1-yl)methyl)phenoxy)ethoxy)-4-(4-methylthiazol-5-yl)benzyl)-1-((S)-2-(1-fluorocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide |
| CAS No. | 2375564-55-7 |
| PubChem CID | 137628619 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H302-H314
- Precautionary Statement(s)
- P264-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P403+P233-P501
Synthetic Route by SureRoute
2. ACVOAW230 Molecular Building Block Synthetic Route
(2S,4R)-1-((S)-2-(2-(4-(3-Amino-6-(2-hydroxyphenyl)pyridazin-4-yl)piperazin-1-yl)acetamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide
AU-16235
(2S,4R)-4-Hydroxy-1-((R)-2-(3-(((S)-1-((R)-3-((S)-2-(2-hydroxyphenyl)-5,6,6a,7,9,10-hexahydro-8H-pyrazino[1',2':4,5]pyrazino[2,3-c]pyridazin-8-yl)pyrrolidin-1-yl)propan-2-yl)oxy)isoxazol-5-yl)-3-methylbutanoyl)-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide