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CHEBI:188559 - palovarotene

ChEBI IDCHEBI:188559
ChEBI Namepalovarotene
Stars
DefinitionAn olefinic compound that is ethene is which a hydrogen at position 1 is replaced by a 4-carboxyphenyl group and a hydrogen at position 2 is replaced by a 5,5,8,8-tetramethyl-3-[(1H-pyrazol-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl group (the E-stereoisomer). It is a selective retinoic acid receptor γ (RARγ) agonist developed by Ipsen, to reduce the formation of new heterotopic ossification in adults and children with fibrodysplasia ossificans progressiva (FOP), a rare bone disorder.
Last Modified16 April 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30N2O2
Net Charge0
Average Mass414.549
Monoisotopic Mass414.23073
SMILESCC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(/C=C/c3ccc(C(=O)O)cc3)cc21
InChIInChI=1S/C27H30N2O2/c1-26(2)12-13-27(3,4)24-17-22(18-29-15-5-14-28-29)21(16-23(24)26)11-8-19-6-9-20(10-7-19)25(30)31/h5-11,14-17H,12-13,18H2,1-4H3,(H,30,31)/b11-8+
InChIKeyYTFHCXIPDIHOIA-DHZHZOJOSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
retinoic acid receptor gamma agonist  Any retinoic acid receptor (RAR) agonist with specificity for RARγ.
Application:
retinoic acid receptor gamma agonist  Any retinoic acid receptor (RAR) agonist with specificity for RARγ.
ChEBI Ontology
Outgoing Relation(s)
palovarotene (CHEBI:188559) has role retinoic acid receptor γ agonist (CHEBI:88336)
palovarotene (CHEBI:188559) is a benzoic acids (CHEBI:22723)
palovarotene (CHEBI:188559) is a olefinic compound (CHEBI:78840)
palovarotene (CHEBI:188559) is a pyrazoles (CHEBI:26410)
palovarotene (CHEBI:188559) is a stilbenoid (CHEBI:26776)
palovarotene (CHEBI:188559) is a tetralins (CHEBI:36786)
IUPAC Name 
4-{(E)-2-[5,5,8,8-tetramethyl-3-(1H-pyrazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]ethenyl}benzoic acid
INNs  Source
palovaroténeWHO MedNet
palovarotenumWHO MedNet
palovaroteneWHO MedNet
palovarotenoWHO MedNet
Synonyms  Source
RG-667DrugBank
RO3300074DrugBank
R667DrugBank
R-667DrugBank
RO-3300074DrugCentral
CLM 001ChEBI
Brand Name  Source
SohonosKEGG DRUG
Manual XrefsDatabases
LSM-45512LINCS
8470763ChemSpider
D09365KEGG DRUG
DB05467DrugBank
PalovaroteneWikipedia
Registry NumbersSources
CAS:410528-02-8KEGG DRUG
Citations