Account (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
- Catalog No. :
- ACRNBC756
- CAS No. :
- 1446263-38-2
- Molecular Formula :
- C25H28N8O2
- Molecular Weight :
- 472.55
IUPAC Name:Linagliptin impurity E
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | Linagliptin impurity E |
| MDL No. | MFCD28972395 |
| 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-QGZVFWFLSA-N |
| Synonym | (R)-7-(but-2-ynyl)-3-Methyl-1-((4-Methylquinazolin-2-yl)Methyl)-8-(piperidin-3-ylaMino)-1H-purine-2,6(3H,7H)-dione;Linagliptin iMpurity E;Linagliptin Impurity 27;Linagliptin impurity 10/tert-butyl (S)-(1-(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)piperidin-3-yl)carbamate;Linagliptin impurity 2/Tert-butyl (S)-(1-(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)piperidin-3-yl)carbamate;(S)-tert-butyl (1-(7-(but-2-yn-1-yl);Linagliptin-5;1H-Purine-2,6-dione, 7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-8-[(3R)-3-piperidinylamino]- |
| CAS No. | 1446263-38-2 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H332-H335
- Precautionary Statement(s)
- P280-P305+P351+P338-P310
Synthetic Route by SureRoute
2. ACRNBC756 Molecular Building Block Synthetic Route
(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
(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