CHEBI:53612 - squaric acid dibutyl ester

ChEBI IDCHEBI:53612
ChEBI Namesquaric acid dibutyl ester
Stars
DefinitionA cyclic ketone and diether that is a dibutyl ether derivative of squaric acid.
Last Modified15 September 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC12H18O4
Net Charge0
Average Mass226.272
Monoisotopic Mass226.12051
SMILESCCCCOc1c(OCCCC)c(=O)c1=O
InChIInChI=1S/C12H18O4/c1-3-5-7-15-11-9(13)10(14)12(11)16-8-6-4-2/h3-8H2,1-2H3
InChIKeyXBRWELTXMQSEIN-UHFFFAOYSA-N
Roles Classification
Biological Roles:
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:
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.
ChEBI Ontology
Outgoing Relation(s)
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  Source
3,4-Dibutoxy-3-cyclobutene-1,2-dioneChemIDplus
SADBEChEBI
3,4-di-n-butoxy-3-cyclobutene-1,2-dioneChEBI
1,2-dibutyl squarateChEBI
squaric acid dibutylesterChEBI
Registry NumbersSources
Reaxys:1968189Reaxys
CAS:2892-62-8ChemIDplus
Citations