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CHEBI:192973 - PYR-41
| Formula | C17H13N3O7 |
| Net Charge | 0 |
| Average Mass | 371.305 |
| Monoisotopic Mass | 371.07535 |
| SMILES | [H]C(=C1C(=O)NN(c2ccc(C(=O)OCC)cc2)C1=O)c1ccc([N+](=O)[O-])o1 |
| InChI | InChI=1S/C17H13N3O7/c1-2-26-17(23)10-3-5-11(6-4-10)19-16(22)13(15(21)18-19)9-12-7-8-14(27-12)20(24)25/h3-9H,2H2,1H3,(H,18,21) |
| InChIKey | ARGIPZKQJGFSGQ-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Role: | EC 6.2.1.45 (E1 ubiquitin-activating enzyme) inhibitor An EC 6.2.1.* (acid-thiol ligase) inhibitor that interferes with the action of E1 ubiquitin-activating enzyme (EC 6.2.1.45). |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PYR-41 (CHEBI:192973) has role antineoplastic agent (CHEBI:35610) |
| PYR-41 (CHEBI:192973) has role EC 6.2.1.45 (E1 ubiquitin-activating enzyme) inhibitor (CHEBI:192999) |
| PYR-41 (CHEBI:192973) is a C-nitro compound (CHEBI:35716) |
| PYR-41 (CHEBI:192973) is a benzoate ester (CHEBI:36054) |
| PYR-41 (CHEBI:192973) is a ethyl ester (CHEBI:23990) |
| PYR-41 (CHEBI:192973) is a furans (CHEBI:24129) |
| PYR-41 (CHEBI:192973) is a pyrazolidines (CHEBI:38312) |
| Incoming Relation(s) |
| (E)-PYR-41 (CHEBI:192998) is a PYR-41 (CHEBI:192973) |
| (Z)-PYR-41 (CHEBI:192997) is a PYR-41 (CHEBI:192973) |
| IUPAC Name |
|---|
| ethyl 4-{4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl}benzoate |
| Synonyms | Source |
|---|---|
| UBEI-41 | SUBMITTER |
| PYR 41 | ChEBI |
| 4-[4-(5-nitro-furan-2-ylmethylene)-3,5-dioxo-pyrazolidin-1-yl]-benzoic acid ethyl ester | ChEBI |
| PYR41 | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| HMDB0256938 | HMDB |
| PYR-41 | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| CAS:418805-02-4 | ChemIDplus |
| Citations |
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