Account (2S,4R)-1-((S)-2-(3-(2-(2-((2-(4-(3-(5-(tert-Butyl)isoxazol-3-yl)ureido)phenyl)benzo[d]imidazo[2,1-b]thiazol-7-yl)oxy)ethoxy)ethoxy)propanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
- Catalog No. :
- ACAMOB601
- CAS No. :
- 2230826-81-8
- Molecular Formula :
- C52H61N9O9S2
- Molecular Weight :
- 1020.25
IUPAC Name:(2S,4R)-1-((S)-2-(3-(2-(2-((2-(4-(3-(5-(tert-butyl)isoxazol-3-yl)ureido)phenyl)benzo[d]imidazo[2,1-b]thiazol-7-yl)oxy)ethoxy)ethoxy)propanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
![(2S,4R)-1-((S)-2-(3-(2-(2-((2-(4-(3-(5-(tert-Butyl)isoxazol-3-yl)ureido)phenyl)benzo[d]imidazo[2,1-b]thiazol-7-yl)oxy)ethoxy)ethoxy)propanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (2S,4R)-1-((S)-2-(3-(2-(2-((2-(4-(3-(5-(tert-Butyl)isoxazol-3-yl)ureido)phenyl)benzo[d]imidazo[2,1-b]thiazol-7-yl)oxy)ethoxy)ethoxy)propanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide |
|---|---|
| IUPAC Name | (2S,4R)-1-((S)-2-(3-(2-(2-((2-(4-(3-(5-(tert-butyl)isoxazol-3-yl)ureido)phenyl)benzo[d]imidazo[2,1-b]thiazol-7-yl)oxy)ethoxy)ethoxy)propanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide |
| Molecular Formula | C52H61N9O9S2 |
| Molecular Weight | 1020.25 |
| SMILES | O(CCOCCOCCC(N[C@H](C(=O)N1[C@H](C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C[C@@H](O)C1)C(C)(C)C)=O)C=4C=C5C(N6C(S5)=NC(=C6)C7=CC=C(NC(NC=8C=C(C(C)(C)C)ON8)=O)C=C7)=CC4 |
| InChI Key | IKJBYQODYFQASC-YKCITUTQSA-N |
| Synonym | PROTAC FLT-3 degrader 1;PROTACFLT-3degrader1/FLT3PROTAC;FLT-3 degrader 1;(2S,4R)-1-[(2S)-2-{3-[2-(2-{[4-(4-{[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]amino}phenyl)-7-thia-2,5-diazatricyclo[6.4.0.02,?]dodeca-1(8),3,5,9,11-pentaen-10-yl]oxy}ethoxy)ethoxy]propanamido}-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide |
| CAS No. | 2230826-81-8 |
| PubChem CID | 167994937 |
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. ACAMOB601 Molecular Building Block Synthetic Route
(2S,4R)-1-((S)-2-(tert-Butyl)-23-((2-(4-(methylamino)phenyl)benzo[d]thiazol-6-yl)oxy)-4-oxo-6,9,12,15,18,21-hexaoxa-3-azatricosanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide
(2S,4R)-1-((2R)-2-(3-(4-((4-(trans-3-((4-(3-(3-Amino-6-(2-hydroxyphenyl)pyridazin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)pyridin-2-yl)oxy)cyclobutoxy)piperidin-1-yl)methyl)piperidin-1-yl)isoxazol-5-yl)-3-methylbutanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide
(2S,4R)-1-((2S)-2-(2-(4-((2S)-2-(((4-(3,8-Diazabicyclo[3.2.1]octan-3-yl)-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl)oxy)methyl)pyrrolidin-1-yl)butoxy)acetamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide