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> Main
CHEBI:72324 - alogliptin benzoate
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ChEBI Name
alogliptin benzoate
ChEBI ID
CHEBI:72324
Definition
A benzoate salt obtained by combining equimolar amounts of alogliptin and benzoic acid. Used for treatment of type 2 diabetes.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formulae
C18H21N5O2.C7H6O2
C25H27N5O4
Net Charge
0
Average Mass
461.51300
Monoisotopic Mass
461.20630
InChI
InChI=1S/C18H21N5O2.C7H6O2/c1-
21-
17(24)
9-
16(22-
8-
4-
7-
15(20)
12-
22)
23(18(21)
25)
11-
14-
6-
3-
2-
5-
13(14)
10-
19;8-
7(9)
6-
4-
2-
1-
3-
5-
6/h2-
3,5-
6,9,15H,4,7-
8,11-
12,20H2,1H3;1-
5H,(H,8,9)
/t15-
;/m1./s1
InChIKey
KEJICOXJTRHYAK-XFULWGLBSA-N
SMILES
OC(=O)c1ccccc1.Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O
Roles Classification
Biological Role
(s):
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor
An EC 3.4.14.* (dipeptidyl- and tripeptidyl-peptidases) inhibitor that specifically inhibits dipeptidyl peptidase-4 (EC 3.4.14.5).
Application
(s):
hypoglycemic agent
A drug which lowers the blood glucose level.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
alogliptin benzoate (
CHEBI:72324
)
has part
alogliptin(1+) (
CHEBI:72326
)
alogliptin benzoate (
CHEBI:72324
)
has role
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor (
CHEBI:68612
)
alogliptin benzoate (
CHEBI:72324
)
has role
hypoglycemic agent (
CHEBI:35526
)
alogliptin benzoate (
CHEBI:72324
)
is a
benzoate salt (
CHEBI:72325
)
IUPAC Names
(3
R
)-
1-
[3-
(2-
cyanobenzyl)-
1-
methyl-
2,6-
dioxo-
1,2,3,6-
tetrahydropyrimidin-
4-
yl]piperidin-
3-
aminium benzoate
2-
({6-
[(3
R
)-
3-
aminopiperidin-
1-
yl]-
3-
methyl-
2,4-
dioxo-
3,4-
dihydropyrimidin-
1(2
H
)-
yl}methyl)benzonitrile benzoate
Synonyms
Sources
6-((3R)-3-aminopiperidin-1-yl)-1-(2-cyanobenzyl)-3-methylpyrimidin-2,4(1H,3H)-dione monobenzoate
ChemIDplus
alogliptin monobenzoate
ChEBI
SYR 322
ChemIDplus
SYR-322
ChemIDplus
Brand Name
Source
Nesina
ChEBI
Manual Xrefs
Databases
Alogliptin
Wikipedia
D06553
KEGG DRUG
EP1586571
Patent
EP1970063
Patent
US2007066635
Patent
WO2010109468
Patent
WO2011141903
Patent
View more database links
Registry Numbers
Types
Sources
12413070
Reaxys Registry Number
Reaxys
850649-62-6
CAS Registry Number
KEGG DRUG
850649-62-6
CAS Registry Number
ChemIDplus
Citations
Types
Sources
18499100
PubMed citation
Europe PMC
19427871
PubMed citation
Europe PMC
19455266
PubMed citation
Europe PMC
20883057
PubMed citation
Europe PMC
21233588
PubMed citation
Europe PMC
21431099
PubMed citation
Europe PMC
22296609
PubMed citation
Europe PMC
22512582
PubMed citation
Europe PMC
Last Modified
11 February 2013