Account DGKα-IN-8
- Catalog No. :
- ACIWUD428
- CAS No. :
- 2886717-70-8
- Molecular Formula :
- C23H19ClF3N5O
- Molecular Weight :
- 473.89
IUPAC Name:4-(3-((8-chloro-1-methyl-1H-[1,2,3]triazolo[4,5-c]isoquinolin-5-yl)(2,2-difluoroethyl)amino)-5-fluorophenyl)-2-methylbut-3-yn-2-ol
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Product Information
| Product Name | DGKα-IN-8 |
|---|---|
| IUPAC Name | 4-(3-((8-chloro-1-methyl-1H-[1,2,3]triazolo[4,5-c]isoquinolin-5-yl)(2,2-difluoroethyl)amino)-5-fluorophenyl)-2-methylbut-3-yn-2-ol |
| MDL No. | 0 |
| Molecular Formula | C23H19ClF3N5O |
| Molecular Weight | 473.89 |
| SMILES | CC(O)(C)C#CC1=CC(F)=CC(N(C2=C3C=CC(Cl)=CC3=C(N(C)N=N4)C4=N2)CC(F)F)=C1 |
| InChI Key | AZQWRUDQALWXQL-UHFFFAOYSA-N |
| Synonym | 4-[3-[(8-Chloro-1-methyl-1H-[1,2,3]triazolo[4,5-c]isoquinolin-5-yl)(2,2-difluoroethyl)amino]-5-fluorophenyl]-2-methyl-3-butyn-2-ol;DGKα-IN-8;3-Butyn-2-ol, 4-[3-[(8-chloro-1-methyl-1H-1,2,3-triazolo[4,5-c]isoquinolin-5-yl)(2,2-difluoroethyl)amino]-5-fluorophenyl]-2-methyl- |
| CAS No. | 2886717-70-8 |
Synthetic Route by SureRoute
2. ACIWUD428 Molecular Building Block Synthetic Route
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S-(3-(((((3R,5S)-1-((S)-2-(11-(4-(3,5-Difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxamido)undecanamido)-3,3-dimethylbutanoyl)-5-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-3-yl)oxy)carbonyl)oxy)butan-2-yl) methanesulfonothioate
S-((R)-1-(((((3R,5S)-1-((S)-2-(11-(7-(3,5-Difluoropyridin-2-yl)-2-methyl-10-((methylsulfonyl)methyl)-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxamido)undecanamido)-3,3-dimethylbutanoyl)-5-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-3-yl)oxy)carbonyl)oxy)propan-2-yl) methanesulfonothioate