Account (S)-7-(But-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-8-(piperidin-3-ylamino)-3,7-dihydro-1H-purine-2,6-dione
- Catalog No. :
- ACMDIU902
- CAS No. :
- 2253964-85-9
- Molecular Formula :
- C25H28N8O2
- Molecular Weight :
- 472.55
IUPAC Name:(S)-7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-8-(piperidin-3-ylamino)-3,7-dihydro-1H-purine-2,6-dione
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Product Information
| Product Name | (S)-7-(But-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-8-(piperidin-3-ylamino)-3,7-dihydro-1H-purine-2,6-dione |
|---|---|
| IUPAC Name | (S)-7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-8-(piperidin-3-ylamino)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Formula | C25H28N8O2 |
| Molecular Weight | 472.55 |
| SMILES | O=C(N1CC2=NC(C)=C3C=CC=CC3=N2)N(C)C4=C(N(CC#CC)C(N[C@@H]5CNCCC5)=N4)C1=O |
| InChI Key | DOQKYHYFAIBWOA-KRWDZBQOSA-N |
| Synonym | 7-(2-Butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-8-[(3S)-3-piperidinylamino]-1H-purine-2,6-dione;1H-Purine-2,6-dione, 7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-8-[(3S)-3-piperidinylamino]-;LigliptinImpurity5 |
| CAS No. | 2253964-85-9 |
Synthetic Route by SureRoute
2. ACMDIU902 Molecular Building Block Synthetic Route
(R)-7-(But-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-8-(piperidin-3-ylamino)-1H-purine-2,6(3H,7H)-dione
(R)-7-(but-2-yn-1-yl)-8-(3-((7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)piperidin-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-3,7-dihydro-1H-purine-2,6-dione
(S)-8-(3-Aminopiperidin-1-yl)-7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-1H-purine-2,6(3H,7H)-dione