CHEBI:63564 - tixocortol pivalate

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ChEBI Name tixocortol pivalate
ChEBI ID CHEBI:63564
Definition The pivalate thioester of tixocortol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H38O5S
Net Charge 0
Average Mass 462.64200
Monoisotopic Mass 462.244
InChI InChI=1S/C26H38O5S/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h12,17-19,21,28,31H,6-11,13-14H2,1-5H3/t17-,18-,19-,21+,24-,25-,26-/m0/s1
InChIKey BISFDZNIUZIKJD-XDANTLIUSA-N
SMILES [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CSC(=O)C(C)(C)C
Roles Classification
Biological Role(s): glucocorticoid receptor agonist
An agonist that selectively binds to and activates a glucocorticoid receptor.
Application(s): anti-allergic agent
A drug used to treat allergic reactions.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing tixocortol pivalate (CHEBI:63564) has functional parent tixocortol (CHEBI:63560)
tixocortol pivalate (CHEBI:63564) has role anti-allergic agent (CHEBI:50857)
tixocortol pivalate (CHEBI:63564) has role glucocorticoid receptor agonist (CHEBI:63562)
tixocortol pivalate (CHEBI:63564) is a corticosteroid (CHEBI:50858)
tixocortol pivalate (CHEBI:63564) is a pivalate ester (CHEBI:50784)
tixocortol pivalate (CHEBI:63564) is a tertiary α-hydroxy ketone (CHEBI:139592)
tixocortol pivalate (CHEBI:63564) is a thioester (CHEBI:51277)
IUPAC Name
S-(11β,17-dihydroxy-3,20-dioxopregn-4-en-21-yl) 2,2-dimethylpropanethioate
Synonyms Sources
(11β)-11,17-dihydroxy-21-((2,2-dimethyl-1-oxopropyl)thio)pregn-4-ene-3,20-dione ChemIDplus
11β,17-dihydroxy-21-mercaptopregn-4-ene-3,20-dione 21-pivalate ChemIDplus
Pivalone ChemIDplus
Tixocortol 21-pivalate ChemIDplus
Manual Xrefs Databases
4064 DrugCentral
D06171 KEGG DRUG
DE2357778 Patent
US4014909 Patent
View more database links
Registry Numbers Types Sources
55560-96-8 CAS Registry Number ChemIDplus
6577822 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
154555 PubMed citation Europe PMC
21317857 PubMed citation Europe PMC
21616561 PubMed citation Europe PMC
2893715 PubMed citation Europe PMC
6261773 PubMed citation Europe PMC
6784734 PubMed citation Europe PMC
6784735 PubMed citation Europe PMC
6784736 PubMed citation Europe PMC
8977714 PubMed citation Europe PMC
Last Modified
07 February 2018