Account 1,1'-(((2-Propylpropane-1,3-diyl)bis(quinazoline-4,2-diyl))bis(methylene))bis(8-((R)-3-aminopiperidin-1-yl)-7-(but-2-yn-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione)
- Catalog No. :
- ACXXKS925
- CAS No. :
- 1643364-41-3
- Molecular Formula :
- C54H62N16O4
- Molecular Weight :
- 999.20
IUPAC Name:1,1'-(((2-propylpropane-1,3-diyl)bis(quinazoline-4,2-diyl))bis(methylene))bis(6-((R)-3-aminopiperidin-1-yl)-5-(but-2-yn-1-yl)-3-methyl-3,5-dihydro-1H-imidazo[4,5-d]pyrimidine-2,4-dione)
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Product Information
| Product Name | 1,1'-(((2-Propylpropane-1,3-diyl)bis(quinazoline-4,2-diyl))bis(methylene))bis(8-((R)-3-aminopiperidin-1-yl)-7-(but-2-yn-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione) |
|---|---|
| IUPAC Name | 1,1'-(((2-propylpropane-1,3-diyl)bis(quinazoline-4,2-diyl))bis(methylene))bis(6-((R)-3-aminopiperidin-1-yl)-5-(but-2-yn-1-yl)-3-methyl-3,5-dihydro-1H-imidazo[4,5-d]pyrimidine-2,4-dione) |
| Molecular Formula | C54H62N16O4 |
| Molecular Weight | 999.20 |
| SMILES | O=C(N1CC2=NC(CC(CC3=C4C=CC=CC4=NC(CN5C(N(C)C6=C(N(CC#CC)C(N7C[C@H](N)CCC7)=N6)C5=O)=O)=N3)CCC)=C8C=CC=CC8=N2)N(C)C9=C(N(CC#CC)C(N%10C[C@H](N)CCC%10)=N9)C1=O |
| InChI Key | LTMYFOFIZHMISH-LQFQNGICSA-N |
| Synonym | 8-[(3R)-3-aminopiperidin-1-yl]-1-{[4-(2-{[2-({8-[(3R)- 3-aminopiperidin-1-yl]-7-(but-2-yn-1-yl)-3-methyl-2 ,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}methyl)q uinazolin-4-yl]methyl}pentyl)quinazolin-2-yl]meth yl}-7-(but-2-yn-1-yl)-3-methyl-2,3,6,7-tetrahydro-1 H-purine-2 6-dione;LigliptinDimerImpurity6;1H-Purine-2,6-dione, 8-[(3R)-3-amino-1-piperidinyl]-1-[[4-[2-[[2-[[8-[(3R)-3-amino-1-piperidinyl]-7-(2-butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-2,6-dioxo-1H-purin-1-yl]methyl]-4-quinazolinyl]methyl]pentyl]-2-quinazolinyl]methyl]-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl- |
| CAS No. | 1643364-41-3 |
Synthetic Route by SureRoute
2. ACXXKS925 Molecular Building Block Synthetic Route
N-(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)formamide
(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
(R)-8-(3-aminopiperidin-1-yl)-7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-3,7-dihydro-1H-purine-2,6-dione