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CHEBI:228365 - pemafibrate

ChEBI IDCHEBI:228365
ChEBI Namepemafibrate
Stars
DefinitionA member of the class of 1,3-benzoxazoles that is 1,3-benzoxazol-2-amine in which the amino hydrogens are replaced by 3-[(1R)-1-carboxypropoxy]benzyl and 3-(4-methoxyphenoxy)propyl groups. It is a selective peroxisome proliferator-activated receptor (PPAR)-α agonist that is used for the treatment of hyperlipidaemia.
Last Modified3 January 2024
SubmitterAdnan
DownloadsMolfile
FormulaC28H30N2O6
Net Charge0
Average Mass490.556
Monoisotopic Mass490.21039
SMILESCC[C@@H](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c2nc3ccccc3o2)c1)C(=O)O
InChIInChI=1S/C28H30N2O6/c1-3-25(27(31)32)35-23-9-6-8-20(18-23)19-30(28-29-24-10-4-5-11-26(24)36-28)16-7-17-34-22-14-12-21(33-2)13-15-22/h4-6,8-15,18,25H,3,7,16-17,19H2,1-2H3,(H,31,32)/t25-/m1/s1
InChIKeyZHKNLJLMDFQVHJ-RUZDIDTESA-N
Wikipedia
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
PPARalpha agonist  A PPAR modulator which activates the peroxisome proliferator-activated receptor-α.
Applications:
hepatoprotective agent  Any compound that is able to prevent damage to the liver.
antilipemic drug  A substance used to treat hyperlipidemia (an excess of lipids in the blood).
ChEBI Ontology
Outgoing Relation(s)
pemafibrate (CHEBI:228365) has role antilipemic drug (CHEBI:35679)
pemafibrate (CHEBI:228365) has role hepatoprotective agent (CHEBI:62868)
pemafibrate (CHEBI:228365) has role PPARα agonist (CHEBI:70782)
pemafibrate (CHEBI:228365) is a 1,3-benzoxazoles (CHEBI:51548)
pemafibrate (CHEBI:228365) is a aromatic amine (CHEBI:33860)
pemafibrate (CHEBI:228365) is a methoxybenzenes (CHEBI:51683)
pemafibrate (CHEBI:228365) is a monocarboxylic acid (CHEBI:25384)
pemafibrate (CHEBI:228365) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
(2R)-2-[3-({1,3-benzoxazol-2-yl[3-(4-methoxyphenoxy)propyl]amino}methyl)phenoxy]butanoic acid
Synonyms  Source
(R)-2-[3-[[N-(benzoxazol-2-yl)-N-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acidChEBI
(2R)-2-[3-[[2-benzoxazolyl[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acidChEBI
(R)-K 13675ChEBI
(R)-K-13675ChEBI
K 877ChEBI
K-877ChEBI
Brand Name  Source
ParmodiaKEGG DRUG
Manual XrefsDatabases
DB15212DrugBank
HMDB0256213HMDB
9572605ChemSpider
D10711KEGG DRUG
PemafibrateWikipedia
P7FPDBeChem
Registry NumbersSources
CAS:848259-27-8DrugBank
Citations