Account Desmethyl-QCA276
- Catalog No. :
- ACDUQJ214
- CAS No. :
- 2126819-55-2
- Molecular Formula :
- C21H17N5OS
- Molecular Weight :
- 387.47
IUPAC Name:2-((1H-pyrazol-4-yl)ethynyl)-3-benzyl-9-methyl-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine
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Product Information
| Product Name | Desmethyl-QCA276 |
|---|---|
| IUPAC Name | 2-((1H-pyrazol-4-yl)ethynyl)-3-benzyl-9-methyl-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine |
| Molecular Formula | C21H17N5OS |
| Molecular Weight | 387.47 |
| SMILES | CC1=NN=C2COCC(C(CC3=CC=CC=C3)=C(C#CC4=CNN=C4)S5)=C5N21 |
| InChI Key | ZTDJXVBUQNJGQF-UHFFFAOYSA-N |
| Synonym | Desmethyl-QCA276;PROTAC BRD4-binding moiety 4;4H,6H-Thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine, 9-methyl-3-(phenylmethyl)-2-[2-(1H-pyrazol-4-yl)ethynyl]- |
| CAS No. | 2126819-55-2 |
Synthetic Route by SureRoute
2. ACDUQJ214 Molecular Building Block Synthetic Route
3-Benzyl-9-methyl-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine
3-Benzyl-2-bromo-9-methyl-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine
3-(4-(5-(4-((3-Benzyl-9-methyl-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepin-2-yl)ethynyl)-1H-pyrazol-1-yl)pent-1-yn-1-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione