TIZ
(1R)-1-[4-(AMINOCARBONYL)-1,3-THIAZOL-2-YL]-1,4-ANHYDRO-D-RIBITOL
Created: | 2007-03-08 |
Last modified: | 2021-03-01 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 29 |
Chiral Atom Count | 0 |
Bond Count | 30 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (1R)-1-[4-(AMINOCARBONYL)-1,3-THIAZOL-2-YL]-1,4-ANHYDRO-D-RIBITOL |
Synonyms | TIAZOFURIN |
Systematic Name (OpenEye OEToolkits) | 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-4-carboxamide |
Formula | C9 H12 N2 O5 S |
Molecular Weight | 260.267 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c1nc(sc1)C2OC(C(O)C2O)CO)N |
SMILES | CACTVS | 3.341 | NC(=O)c1csc(n1)[CH]2O[CH](CO)[CH](O)[CH]2O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1c(nc(s1)C2C(C(C(O2)CO)O)O)C(=O)N |
Canonical SMILES | CACTVS | 3.341 | NC(=O)c1csc(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N |
InChI | InChI | 1.03 | InChI=1S/C9H12N2O5S/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)/t4-,5-,6-,7-/m1/s1 |
InChIKey | InChI | 1.03 | FVRDYQYEVDDKCR-DBRKOABJSA-N |
Drug Info: DrugBank
DrugBank ID | DB13243 |
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Name | Tiazofurine |
Groups | experimental |
Description | Tiazofurine has potential clinical use in cancer treatment as it is a potential inhibitor of Inosine- 5’-monophosphate (IMP) dehydrogenase [A174991]. |
Synonyms |
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Categories |
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ATC-Code | L01XX18 |
CAS number | 60084-10-8 |
Related Resource References
Resource Name | Reference |
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PubChem | 457954 |
ChEMBL | CHEMBL108358 |
ChEBI | CHEBI:90239 |
CCDC/CSD | BOBNEL10 |