CHEBI:53612 - squaric acid dibutyl ester

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ChEBI Name squaric acid dibutyl ester
ChEBI ID CHEBI:53612
Definition A cyclic ketone and diether that is a dibutyl ether derivative of squaric acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H18O4
Net Charge 0
Average Mass 226.26890
Monoisotopic Mass 226.12051
InChI InChI=1S/C12H18O4/c1-3-5-7-15-11-9(13)10(14)12(11)16-8-6-4-2/h3-8H2,1-2H3
InChIKey XBRWELTXMQSEIN-UHFFFAOYSA-N
SMILES CCCCOc1c(OCCCC)c(=O)c1=O
Roles Classification
Biological Role(s): immunological adjuvant
A substance that augments, stimulates, activates, potentiates, or modulates the immune response at either the cellular or humoral level. A classical agent (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contains bacterial antigens. It could also be endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Its mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy is related to its antigen-specific immunoadjuvanticity.
allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
Application(s): immunological adjuvant
A substance that augments, stimulates, activates, potentiates, or modulates the immune response at either the cellular or humoral level. A classical agent (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contains bacterial antigens. It could also be endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Its mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy is related to its antigen-specific immunoadjuvanticity.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing squaric acid dibutyl ester (CHEBI:53612) has functional parent squaric acid (CHEBI:52141)
squaric acid dibutyl ester (CHEBI:53612) has role allergen (CHEBI:50904)
squaric acid dibutyl ester (CHEBI:53612) has role immunological adjuvant (CHEBI:50847)
squaric acid dibutyl ester (CHEBI:53612) is a cyclic ketone (CHEBI:3992)
squaric acid dibutyl ester (CHEBI:53612) is a diether (CHEBI:46786)
IUPAC Name
3,4-dibutoxycyclobut-3-ene-1,2-dione
Synonyms Sources
1,2-dibutyl squarate ChEBI
3,4-di-n-butoxy-3-cyclobutene-1,2-dione ChEBI
3,4-Dibutoxy-3-cyclobutene-1,2-dione ChemIDplus
SADBE ChEBI
squaric acid dibutylester ChEBI
Registry Numbers Types Sources
1968189 Beilstein Registry Number Beilstein
1968189 Reaxys Registry Number Reaxys
2892-62-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
15 September 2014