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CHEBI:53612 - squaric acid dibutyl ester
| Formula | C12H18O4 |
| Net Charge | 0 |
| Average Mass | 226.272 |
| Monoisotopic Mass | 226.12051 |
| SMILES | CCCCOc1c(OCCCC)c(=O)c1=O |
| 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 |
| Roles Classification |
|---|
| Biological Roles: | 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. 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. anti-HSV agent An antiviral agent that destroys or inhibits the replication of the herpes simplex virus (also known as the human herpes virus). |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. 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 anti-HSV agent (CHEBI:64952) |
| squaric acid dibutyl ester (CHEBI:53612) has role antineoplastic agent (CHEBI:35610) |
| 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 |
|---|---|
| 1,2-dibutyl squarate | ChEBI |
| 3,4-Dibutoxy-3-cyclobutene-1,2-dione | ChemIDplus |
| 3,4-di-n-butoxy-3-cyclobutene-1,2-dione | ChEBI |
| Dibutyl squarate | ChEMBL |
| NSC-113489 | ChEMBL |
| SADBE | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1968189 | Reaxys |
| CAS:2892-62-8 | ChemIDplus |
| Citations |
|---|