Account (S)-2-(1-(But-2-yn-1-yl)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(2-(2-((S)-2-(trifluoromethyl)pyrrolidin-1-yl)pyrimidin-5-yl)thiazol-4-yl)propanamide
- Catalog No. :
- ACPVKV891
- CAS No. :
- 1889219-85-5
- Molecular Formula :
- C25H24F3N9O3S
- Molecular Weight :
- 587.59
IUPAC Name:(S)-2-(1-(but-2-yn-1-yl)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(2-(2-((S)-2-(trifluoromethyl)pyrrolidin-1-yl)pyrimidin-5-yl)thiazol-4-yl)propanamide
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Product Information
| Product Name | (S)-2-(1-(But-2-yn-1-yl)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(2-(2-((S)-2-(trifluoromethyl)pyrrolidin-1-yl)pyrimidin-5-yl)thiazol-4-yl)propanamide |
|---|---|
| IUPAC Name | (S)-2-(1-(but-2-yn-1-yl)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(2-(2-((S)-2-(trifluoromethyl)pyrrolidin-1-yl)pyrimidin-5-yl)thiazol-4-yl)propanamide |
| Molecular Formula | C25H24F3N9O3S |
| Molecular Weight | 587.59 |
| SMILES | CC#CCN1C(=O)C2=C(N=CN2[C@@H](C)C(=O)NC2=CSC(C3=CN=C(N4CCC[C@H]4C(F)(F)F)N=C3)=N2)N(C)C1=O |
| InChI Key | MZDLKLCZJYQPTH-HOCLYGCPSA-N |
| Synonym | 7H-Purine-7-acetamide, 1-(2-butyn-1-yl)-1,2,3,6-tetrahydro-α,3-dimethyl-2,6-dioxo-N-[2-[2-[(2S)-2-(trifluoromethyl)-1-pyrrolidinyl]-5-pyrimidinyl]-4-thiazolyl]-, (αS)- |
| CAS No. | 1889219-85-5 |
Synthetic Route by SureRoute
2. ACPVKV891 Molecular Building Block Synthetic Route
(S)-2-(1-(Cyanomethyl)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(2-(2-((S)-2-(trifluoromethyl)pyrrolidin-1-yl)pyrimidin-5-yl)thiazol-4-yl)propanamide
(2S)-N-(2-(2-(3-Azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl)thiazol-4-yl)-2-(1-(but-2-yn-1-yl)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanamide
(2S)-2-(1-(But-2-yn-1-yl)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(2-(2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl)thiazol-4-yl)propanamide