Linagliptin (CED0003744)

Record Information
Version1.0
Creation Date2026-04-06 04:11:32 UTC
Update Date2026-08-22 05:12:01 UTC
Accession NumberCHEM117397
Identification
Common NameLinagliptin
ClassSmall Molecule
Description
Linagliptin is an organic compound with the chemical formula C25H28N8O2 and an average molecular weight of 472.54 g/mol. Linagliptin belongs to the purines and purine derivatives, a subclass of imidazopyrimidines within the organic compounds. In terms of biological activity, the compound acts as an inhibitor of the protein target Dipeptidyl peptidase 4 (DPP4). The compound is associated with 30 recorded sources across several diverse categories. Within healthcare, pharmaceuticals, and veterinary products, it is identified as a blood glucose lowering drug, excluding insulins, with oral exposure being the recorded route. Other recorded sources include food, food processing, and cookware, specifically the processing of fish. It is also found in household items such as badges and key rings, as well as household cleaning and consumer products including soap dispensers, pipe accessories, tobacco pipes, match receptacles or boxes, and stands for smoker requisites. In the building and construction sector, sources include floors, fencing, ladders, stairs and ramps, and sunshades, awnings, or outside screens. Additionally, the compound is released from electrical and electronic equipment, including amplifiers, antennas, auxiliary devices, adjustable resistors, and colour television systems.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC25H28N8O2
Average Molecular Mass472.542 g/mol
Monoisotopic Mass472.234 g/mol
CAS Registry Number668270-12-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC#CCN1C(=NC2=C1C(=O)N(CC1=NC3=C(C=CC=C3)C(C)=N1)C(=O)N2C)N1CCC[C@@H](N)C1
InChI IdentifierInChI=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
InChI KeyLTXREWYXXSTFRX-QGZVFWFLSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0114900000-928cf1c76b7fa52190f2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0113900000-1cf1f79967a4761f3983Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ufr-0391100000-8df1ebbcbdc456f86470Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0114900000-928cf1c76b7fa52190f2Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-05fr-1001900000-49fe1c7aaca658e31f85Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0w29-1159500000-4a43d8c9e4c91917dbb4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00xr-9000000000-e17b7a64fc59972e67f7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00xr-0027900000-674c17cb3ef8ac07fe81Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0gb9-0011900000-61e588995587ba5b733fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udj-0931400000-2d49bf9b387f942321c3Not AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
290.0Log mg/kg[160:520]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
263Blood glucose lowering drugs, excl. insulinsHealthcare, pharmaceuticals & veterinary productsNot Available
496FencingBuilding & ConstructionNot Available
497FloorsBuilding & ConstructionNot Available
498LaddersBuilding & ConstructionNot Available
500Stairs And RampsBuilding & ConstructionNot Available
502Sunshades Awnings Or Outside ScreensBuilding & ConstructionNot Available
503Tents Or CanopiesBuilding & ConstructionNot Available
504Adjustable ResistorsElectrical & Electronic EquipmentNot Available
505AmplifiersElectrical & Electronic EquipmentNot Available
506AntennasElectrical & Electronic EquipmentNot Available
507Auxiliary DevicesElectrical & Electronic EquipmentNot Available
509Colour Television SystemsElectrical & Electronic EquipmentNot Available
510Communication Cables Or ConductorsElectrical & Electronic EquipmentNot Available
515Discharge Tubes With Liquid Pool CathodesElectrical & Electronic EquipmentNot Available
516Electric Hearing AidsElectrical & Electronic EquipmentNot Available
523Gas Filled Discharge Tubes With Solid CathodeElectrical & Electronic EquipmentNot Available
525Line Transmission SystemsElectrical & Electronic EquipmentNot Available
527MagnetsElectrical & Electronic EquipmentNot Available
531RelaysElectrical & Electronic EquipmentNot Available
532SelectorsElectrical & Electronic EquipmentNot Available
535Superconducting Magnets And Superconducting CoilsElectrical & Electronic EquipmentNot Available
551Processing FishFood, food processing & cookwareNot Available
558Match Receptables Or BoxesHousehold cleaning & consumer productsNot Available
562Pipe AccessoriesHousehold cleaning & consumer productsNot Available
564Soap DispensersHousehold cleaning & consumer productsNot Available
565Stands For Smoker RequirsitesHousehold cleaning & consumer productsNot Available
566Tobacco PipesHousehold cleaning & consumer productsNot Available
567Tobacco Product CasesHousehold cleaning & consumer productsNot Available
570BadgesHousehold itemsNot Available
573Key RingsHousehold itemsNot Available
578Making CigarsIndustrial manufacturing & chemical processingNot Available
583Anchoring EquipmentMarine, shipping & aquacultureNot Available
584BuoysMarine, shipping & aquacultureNot Available
592Marine Propulsion Or SteeringMarine, shipping & aquacultureNot Available
593Nautical InstrumentsMarine, shipping & aquacultureNot Available
598Fertiliser DistributorsAgriculture & land managementNot Available
601Lawn MowersAgriculture & land managementNot Available
616Face Mask CosmeticsPersonal care & cosmeticsNot Available
620Card GamesRecreation & sports surfacesNot Available
624Merry Go RoundsRecreation & sports surfacesNot Available
628See SawsRecreation & sports surfacesNot Available
634BucklesTextiles, leather & furnishingsNot Available
635ButtonsTextiles, leather & furnishingsNot Available
640Embroidering And TuftingTextiles, leather & furnishingsNot Available
647Multicolour DyeingTextiles, leather & furnishingsNot Available
651Purses Money Bags WalletsTextiles, leather & furnishingsNot Available
653SewingTextiles, leather & furnishingsNot Available
654Sleeve LinksTextiles, leather & furnishingsNot Available
655Slide FastenersTextiles, leather & furnishingsNot Available
658Touch FastenersTextiles, leather & furnishingsNot Available
661UmbrellasTextiles, leather & furnishingsNot Available
Pathways
1 pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Dipeptidyl peptidase 4 structureClick to view 3D structureDipeptidyl peptidase 4P27487HumansPredicted (SEA)0.856341
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)2.10193
Prolyl endopeptidase FAP structureClick to view 3D structureProlyl endopeptidase FAPQ12884HumansPredicted (SEA)1.16774
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)168.544
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)121.756
Dipeptidyl peptidase 9 structureClick to view 3D structureDipeptidyl peptidase 9Q86TI2HumansPredicted (SEA)6.92858
Click to view 3D structureDipeptidyl peptidase 4P28843Mus musculusPredicted (SEA)4.35956
Click to view 3D structureProlyl endopeptidase FAPP97321Mus musculusPredicted (SEA)3.65891
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)99.7249
Adenosine receptor A2a structureClick to view 3D structureAdenosine receptor A2aP29274HumansPredicted (SEA)97.5451
Click to view 3D structureAdenosine receptor A2aP30543Rattus norvegicusPredicted (SEA)78.3942
Adenosine receptor A2b structureClick to view 3D structureAdenosine receptor A2bP29275HumansPredicted (SEA)80.8075
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)121.133
Click to view 3D structureAdenosine receptor A1P25099Rattus norvegicusPredicted (SEA)88.5146
Adenosine receptor A1 structureClick to view 3D structureAdenosine receptor A1P30542HumansPredicted (SEA)102.216
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)120.277
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)581.378
Click to view 3D structureDipeptidyl peptidase 4P81425Bos taurusPredicted (SEA)1.32344
Click to view 3D structureN-arachidonyl glycine receptorQ14330HumansPredicted (SEA)12.923
G-protein coupled receptor 55 structureClick to view 3D structureG-protein coupled receptor 55Q9Y2T6HumansPredicted (SEA)31.8403
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)1051.74
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)550.083
Dipeptidyl peptidase 8 structureClick to view 3D structureDipeptidyl peptidase 8Q6V1X1HumansPredicted (SEA)37.679
Click to view 3D structureN-arachidonyl glycine receptorQ8K1Z6Mus musculusPredicted (SEA)12.6116
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)326.344
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available