Account (2S,4R)-N-(2-(2-(2-(2-((6-Chlorohexyl)oxy)ethoxy)ethoxy)ethoxy)-4-(4-methylthiazol-5-yl)benzyl)-1-((S)-2-(1-cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
- Catalog No. :
- ACVDOB873
- CAS No. :
- 2365478-58-4
- Molecular Formula :
- C39H56ClN5O8S
- Molecular Weight :
- 790.42
IUPAC Name:(2S,4R)-N-(2-(2-(2-(2-((6-chlorohexyl)oxy)ethoxy)ethoxy)ethoxy)-4-(4-methylthiazol-5-yl)benzyl)-1-((S)-2-(1-cyanocyclopropane-1-carboxamido)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
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100mg99%$847.00Login to see priceIn stockInquiry
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Product Information
| Product Name | (2S,4R)-N-(2-(2-(2-(2-((6-Chlorohexyl)oxy)ethoxy)ethoxy)ethoxy)-4-(4-methylthiazol-5-yl)benzyl)-1-((S)-2-(1-cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide |
|---|---|
| IUPAC Name | (2S,4R)-N-(2-(2-(2-(2-((6-chlorohexyl)oxy)ethoxy)ethoxy)ethoxy)-4-(4-methylthiazol-5-yl)benzyl)-1-((S)-2-(1-cyanocyclopropane-1-carboxamido)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide |
| Molecular Formula | C39H56ClN5O8S |
| Molecular Weight | 790.42 |
| SMILES | O=C(N1[C@@H](C[C@H](C1)O)C(NCC2=C(C=C(C3=C(N=CS3)C)C=C2)OCCOCCOCCOCCCCCCCl)=O)[C@H](C(C)(C)C)NC(C4(CC4)C#N)=O |
| InChI Key | NJCGXLMTZGCSRS-JSWXEYCZSA-N |
| Synonym | HaloPROTAC-E;(2S,4R)-N-(2-(2-(2-(2-((6-Chlorohexyl)oxy)ethoxy)ethoxy)ethoxy)-4-(4-methylthiazol-5-yl)benzyl)-1-((S)-2-(1-cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide |
| CAS No. | 2365478-58-4 |
| PubChem CID | 154723985 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACVDOB873 Molecular Building Block Synthetic Route
(2S,4R)-1-((S)-2-Acetamido-3,3-dimethylbutanoyl)-N-(2-((6-aminohexyl)oxy)-4-(4-methylthiazol-5-yl)benzyl)-4-hydroxypyrrolidine-2-carboxamide dihydrochloride
(2S,4R)-1-((S)-2-Acetamido-3,3-dimethylbutanoyl)-N-(2-((6-aminohexyl)oxy)-4-(4-methylthiazol-5-yl)benzyl)-4-hydroxypyrrolidine-2-carboxamide
(2S,4R)-1-((S)-2-Acetamido-3,3-dimethylbutanoyl)-N-(2-(4-aminobutoxy)-4-(4-methylthiazol-5-yl)benzyl)-4-hydroxypyrrolidine-2-carboxamide dihydrochloride