Account rel-2-((R)-3-Aminopiperidine-1-carbonyl)-N-((R)-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)benzamide
- Catalog No. :
- ACEPSN727
- CAS No. :
- 2443735-53-1
- Molecular Formula :
- C38H42N10O4
- Molecular Weight :
- 702.82
IUPAC Name:2-((R)-3-aminopiperidine-1-carbonyl)-N-((R)-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)benzamide
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Product Information
| Product Name | rel-2-((R)-3-Aminopiperidine-1-carbonyl)-N-((R)-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)benzamide |
|---|---|
| IUPAC Name | 2-((R)-3-aminopiperidine-1-carbonyl)-N-((R)-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)benzamide |
| Molecular Formula | C38H42N10O4 |
| Molecular Weight | 702.82 |
| SMILES | CC#CCN1C2=C(N(C(N(C2=O)CC3=NC4=C(C=CC=C4)C(C)=N3)=O)C)N=C1N5C[C@@H](CCC5)NC(C6=C(C=CC=C6)C(N7C[C@@H](CCC7)N)=O)=O |
| InChI Key | DGWJWWPYHJPRAZ-CLJLJLNGSA-N |
| Synonym | Linagliptin Impurity 33;Benzamide, 2-[[(3R)-3-amino-1-piperidinyl]carbonyl]-N-[(3R)-1-[7-(2-butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-2,6-dioxo-1H-purin-8-yl]-3-piperidinyl]-, rel- |
| CAS No. | 2443735-53-1 |
Synthetic Route by SureRoute
2. ACEPSN727 Molecular Building Block Synthetic Route
N1,N2-Bis((R)-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)phthalamide
(R)-7-(But-2-ynyl)-8-(3-(1,3-dioxoisoindolin-2-yl)piperidin-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-1H-purine-2,6(3H,7H)-dione
(R)-2-((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)carbamoyl)benzoic acid