Preferred Name

sitagliptin

Synonyms

(3R)-3-amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)butan-1-one

MK-0431

sitagliptina

sitagliptine

(2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE

sitagliptinum

sitagliptin

Definitions

A triazolopyrazine that exhibits hypoglycemic activity.

ID

http://purl.obolibrary.org/obo/CHEBI_40237

charge

0

database_cross_reference

PMID:23432786

Wikipedia:Sitagliptin

PMID:23331339

PMID:23286208

Drug_Central:2448

LINCS:LSM-5363

Beilstein:9962060

KEGG:D08516

PMID:24039399

DrugBank:DB01261

Reaxys:9962060

PDBeChem:715

CAS:486460-32-6

HMDB:HMDB0015390

PMID:24041927

PMID:23927568

PMID:23489256

definition

A triazolopyrazine that exhibits hypoglycemic activity.

formula

C16H15F6N5O

has role

http://purl.obolibrary.org/obo/CHEBI_68612

http://purl.obolibrary.org/obo/CHEBI_35526

http://purl.obolibrary.org/obo/CHEBI_35703

http://purl.obolibrary.org/obo/CHEBI_78298

http://purl.obolibrary.org/obo/CHEBI_48353

has_exact_synonym

(3R)-3-amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)butan-1-one

has_obo_namespace

chebi_ontology

has_related_synonym

MK-0431

sitagliptina

sitagliptine

(2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE

sitagliptinum

sitagliptin

id

CHEBI:40237

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

inchi

InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1

inchikey

MFFMDFFZMYYVKS-SECBINFHSA-N

label

sitagliptin

mass

407.31382

monoisotopicmass

407.11808

notation

CHEBI:40237

prefLabel

sitagliptin

smiles

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F

treeView

http://purl.obolibrary.org/obo/CHEBI_83576

http://purl.obolibrary.org/obo/CHEBI_48277

subClassOf

http://purl.obolibrary.org/obo/CHEBI_83576

http://purl.obolibrary.org/obo/CHEBI_48277

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Delete Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_40237 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_40237 DINTO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_40237 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_40237 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_40237 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_40237 NIFSTD SAME_URI
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C496398 RH-MESH LOOM
http://www.drugbank.ca/drugs/DB01261 FTC LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/423307000 SNOMEDCT LOOM
http://purl.jp/bio/4/id/200906039748025960 IOBC LOOM
http://purl.obolibrary.org/obo/NCIT_C73838 BERO LOOM
https://go.drugbank.com/drugs/DB01261 MDM LOOM
http://purl.bioontology.org/ontology/NDDF/011790 NDDF LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C73838 NCIT LOOM
https://bioportal.bioontology.org/ontologies/DMTO.owl#DMTO_0001553 MIDO LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000176069 NDFRT LOOM
http://purl.bioontology.org/ontology/VANDF/4025780 VANDF LOOM
http://mimi.case.edu/ontologies/2009/9/DrugOntology#sitagliptin SDO LOOM
http://purl.bioontology.org/ontology/RXNORM/593411 RXNORM LOOM
http://purl.obolibrary.org/obo/CHEBI_40237 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_40237 DINTO LOOM
http://purl.obolibrary.org/obo/CHEBI_40237 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_40237 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_40237 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_40237 NIFSTD LOOM
http://purl.bioontology.org/ontology/ATC/A10BH01 ATC LOOM
http://stirdf.jst.go.jp/id/200907060206373264 IOBC LOOM