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The Drug Ontology
Last uploaded:
December 20, 2024
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| Preferred Name | linagliptin | |
| Synonyms |
(R)-8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methylquinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione linagliptin BI 1356 Tradjenta 8-[(3R)-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 |
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| Definitions |
A xanthine that is 7H-xanthine bearing (4-methylquinazolin-2-yl)methyl, methyl, but-2-yn-1-yl and 3-aminopiperidin-1-yl substituents at positions 1, 3, 7 and 8 respectively (the R-enantiomer). Used for treatment of type II diabetes. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_68610 |
|
| alternative label |
(R)-8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methylquinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione linagliptin BI 1356 Tradjenta 8-[(3R)-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
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|
| charge |
0
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|
| database_cross_reference |
PMID:22145698 Patent:EP1852108 PMID:22340363 Patent:US2012165525 PMID:22268497 PMID:22986920 PMID:21913883 PMID:22913735 PMID:22234149 PMID:22761275 PMID:22587735 PMID:20538719 PMID:22198311 PMID:22318932 PMID:22440191 PMID:19947894 PMID:22217485 PMID:22974280 PMID:21340661 PMID:21410628 PMID:22939034 PMID:20160157 PMID:21306414 PMID:22804249 PMID:21543033 PMID:22149370 Patent:WO2009022008 PMID:21603986 PMID:21059094 PMID:22022857 PMID:22143285 PMID:21681003 PMID:22691164 PMID:19552619 PMID:22761701 PMID:21084763 PMID:22748821 PMID:19777398 PMID:22356132 PMID:21752782 PMID:22926098 PMID:20497745 PMID:22177783 PMID:21205122 PMID:19476474 PMID:21916836 Wikipedia:Linagliptin PMID:19771584 Patent:US2007259900 PMID:21781152 PMID:20875371 PMID:21803422 PMID:21443284 Patent:WO2010072776 Patent:WO2004018468 PMID:23033241 PMID:22420306 Patent:WO2006048427 CAS:668270-12-0 PMID:21672124 PMID:22541836 PMID:22879795 PMID:22482239 PMID:21053992 PMID:21723606 Patent:EP246874 PMID:21714581 PMID:22997980 PMID:22498683 PMID:19732457 PMID:22651241 PMID:22346314 PMID:21680988 PMID:20086031 PMID:20637971 PMID:21114605 PMID:22242621 KEGG:D09566 PMID:21352464 PMID:22816729 PMID:21701440 PDBeChem:356 PMID:22568694 Reaxys:11300181 PMID:21642558 PMID:22493041 PMID:21883034
|
|
| definition |
A xanthine that is 7H-xanthine bearing (4-methylquinazolin-2-yl)methyl, methyl, but-2-yn-1-yl and 3-aminopiperidin-1-yl substituents at positions 1, 3, 7 and 8 respectively (the R-enantiomer). Used for treatment of type II diabetes.
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| formula |
C25H28N8O2
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| has characteristic | ||
| has functional parent | ||
| has role | ||
| has_exact_synonym |
8-[(3R)-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
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|
| has_obo_namespace |
chebi_ontology
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|
| has_related_synonym |
(R)-8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methylquinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione linagliptin BI 1356 Tradjenta
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|
| has_RxCUI |
1100699
|
|
| id |
CHEBI:68610
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|
| in_subset | ||
| inchi |
InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1
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|
| inchikey |
LTXREWYXXSTFRX-QGZVFWFLSA-N
|
|
| label |
linagliptin
|
|
| mass |
472.54220
|
|
| monoisotopicmass |
472.23352
|
|
| notation |
CHEBI:68610
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|
| prefLabel |
linagliptin
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|
| smiles |
CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
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| subClassOf |
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