Chemical Entities of Biological Interest Ontology

Last uploaded: January 1, 2025
Jump to:
Id http://purl.obolibrary.org/obo/CHEBI_40237
http://purl.obolibrary.org/obo/CHEBI_40237
Preferred Name

sitagliptin
Definitions
A triazolopyrazine that exhibits hypoglycemic activity.
Synonyms
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
(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
Type http://www.w3.org/2002/07/owl#Class

All Properties

definition

A triazolopyrazine that exhibits hypoglycemic activity.
label
sitagliptin
prefLabel
sitagliptin
database_cross_reference
PMID:23432786
Wikipedia:Sitagliptin
PMID:23331339
PMID:23286208
Drug_Central:2448
LINCS:LSM-5363
KEGG:D08516
PMID:24039399
DrugBank:DB01261
Reaxys:9962060
PDBeChem:715
CAS:486460-32-6
HMDB:HMDB0015390
PMID:24041927
PMID:23927568
PMID:23489256
See more
See less
notation
CHEBI:40237
in_subset
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
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
See more
See less
id
CHEBI:40237
charge
0
has_obo_namespace
chebi_ontology
formula
C16H15F6N5O
subClassOf
inchikey
MFFMDFFZMYYVKS-SECBINFHSA-N
mass
407.31382
monoisotopicmass
407.11808
type
smiles
N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F
has role
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
treeView
Add comment
Add proposal
Delete Subject Author Type Created
No notes to display