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CHEBI:90692 - U0126.EtOH
| Formula | C18H16N6S2.C2H6O |
| Net Charge | 0 |
| Average Mass | 426.571 |
| Monoisotopic Mass | 426.12965 |
| SMILES | CCO.N#CC(=C(/N)Sc1ccccc1N)/C(C#N)=C(\N)Sc1ccccc1N |
| InChI | InChI=1S/C18H16N6S2.C2H6O/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22;1-2-3/h1-8H,21-24H2;3H,2H2,1H3/b17-11+,18-12+; |
| InChIKey | CFQULUVMLGZVAF-OYJDLGDISA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. |
| Biological Roles: | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of mitogen-activated protein kinase (EC 2.7.11.24). apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. osteogenesis regulator Any compound that induces or regulates osteogenesis. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. vasoconstrictor agent Drug used to cause constriction of the blood vessels. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| U0126.EtOH (CHEBI:90692) has part U0126 (CHEBI:90693) |
| U0126.EtOH (CHEBI:90692) has role antineoplastic agent (CHEBI:35610) |
| U0126.EtOH (CHEBI:90692) has role antioxidant (CHEBI:22586) |
| U0126.EtOH (CHEBI:90692) has role apoptosis inducer (CHEBI:68495) |
| U0126.EtOH (CHEBI:90692) has role EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor (CHEBI:79091) |
| U0126.EtOH (CHEBI:90692) has role osteogenesis regulator (CHEBI:63054) |
| U0126.EtOH (CHEBI:90692) has role vasoconstrictor agent (CHEBI:50514) |
| U0126.EtOH (CHEBI:90692) is a addition compound (CHEBI:35504) |
| IUPAC Name |
|---|
| (2Z,3Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile—ethanol (1:1) |
| Synonyms | Source |
|---|---|
| U0126-EtOH | ChEBI |
| U0126 ethanolate | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| U0126 | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:28046614 | Reaxys |
| Citations |
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