Account 8-(4-Bromo-2,3-dioxobutylthio)Nad
- Catalog No. :
- ACNWZA054
- CAS No. :
- 154591-46-5
- Molecular Formula :
- C25H30BrN7O16P2S
- Molecular Weight :
- 858.47
IUPAC Name:1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-5-(6-amino-8-((4-bromo-2,3-dioxobutyl)thio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-3-carbamoylpyridin-1-ium
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Product Information
| Product Name | 8-(4-Bromo-2,3-dioxobutylthio)Nad |
|---|---|
| IUPAC Name | 1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-5-(6-amino-8-((4-bromo-2,3-dioxobutyl)thio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-3-carbamoylpyridin-1-ium |
| Molecular Formula | C25H30BrN7O16P2S |
| Molecular Weight | 858.47 |
| SMILES | NC(=O)C1=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C(SCC(=O)C(=O)CBr)=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)=CC=C1 |
| InChI Key | FPANYIVGWGCMKN-YDKVLQLQSA-N |
| Synonym | 8-(4-bromo-2,3-dioxobutylthio)NAD |
| CAS No. | 154591-46-5 |
Synthetic Route by SureRoute
2. ACNWZA054 Molecular Building Block Synthetic Route
((2R,3S,4R,5R)-5-(6-Amino-8-((4-bromo-2,3-dioxobutyl)thio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate
(((2R,3S,4R,5R)-5-(6-Amino-8-((4-bromo-2,3-dioxobutyl)thio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid
1-((6-Amino-9-((4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-9H-purin-8-yl)thio)-4-bromobutane-2,3-dione