Tubacin is a highly potent and selective, reversible, cell-permeable HDAC6 inhibitor with an IC50 of 4 nM. The IC50 for other HDACs is 1000-fold higher, making tubacin both more selective and more potent than Tubastatin A, which also inhibits HDAC8. Tubacin inhibits alpha-tubulin deacetylation in mammalian cells. Unlike trichostatin A (TSA), which is a broad spectrum HDAC inhibitor, tubacin is specific for the tubulin deacetylase activity of HDAC6. N1-(4-(顺式-4-((4,5-二苯基恶唑-2-基)硫代)甲基)-6-(4-(羟甲基)苯基)-1,3-二氧己环-2-基)苯基)-N8-羟基辛烷二酰胺
CAS 537049-40-4 MFCD37049404
化学结构图
SMILES: O=C(CCCCCCC(=O)Nc1ccc([C@@H]2O[C@H](c3ccc(CO)cc3)C[C@H](CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)O2)cc1)NO
化学属性
| Mol. Formula | C41H43N3O7S |
|---|---|
| Mol. Weight | 721.86 |
| Appearance | Solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name | Tubacin is a highly potent and selective, reversible, cell-permeable HDAC6 inhibitor with an IC50 of 4 nM. The IC50 for other HDACs is 1000-fold higher, making tubacin both more selective and more potent than Tubastatin A, which also inhibits HDAC8. Tubacin inhibits alpha-tubulin deacetylation in mammalian cells. Unlike trichostatin A (TSA), which is a broad spectrum HDAC inhibitor, tubacin is specific for the tubulin deacetylase activity of HDAC6. |
|---|---|
| Chemical Name Translation | N1-(4-(顺式-4-((4,5-二苯基恶唑-2-基)硫代)甲基)-6-(4-(羟甲基)苯基)-1,3-二氧己环-2-基)苯基)-N8-羟基辛烷二酰胺 |
| Chemicalbook ID | CB32519138 |
| LabNetwork Molecule ID | LN01328276 |
| Formula | C41H43N3O7S |
| Synonym | Tubacin |
| IUPAC Name | N1-(4-((2R,4R,6S)-4-(((4,5-diphenyloxazol-2-yl)thio)methyl)-6-(4-(hydroxymethyl)phenyl)-1,3-dioxan-2-yl)phenyl)-N8-hydroxyoctanediamide |
| InChIKey | BHUZLJOUHMBZQY-YXQOSMAKSA-N |
| InChI | InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1 |
| Canonical SMILES | O=C(NC1=CC=C([C@@H]2O[C@H](C3=CC=C(CO)C=C3)C[C@H](CSC4=NC(C5=CC=CC=C5)=C(C6=CC=CC=C6)O4)O2)C=C1)CCCCCCC(NO)=O |
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- Tubacin is a highly potent and selective, reversible, cell-permeable HDAC6 inhibitor with an IC50 of 4 nM. The IC50 for other HDACs is 1000-fold higher, making tubacin both more selective and more potent than Tubastatin A, which also inhibits HDAC8. Tubacin inhibits alpha-tubulin deacetylation in mammalian cells. Unlike trichostatin A (TSA), which is a broad spectrum HDAC inhibitor, tubacin is specific for the tubulin deacetylase activity of HDAC6.
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