rel-2,7-Bis[[(3R,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]-9,10-anthracenedione 9,10-dioxime rel-2,7-双(((3R,5S)-3,5-二甲基哌啶-1-基)磺酰基)蒽-9,10-二酮二肟
CAS 1227637-23-1 MFCD327637231
化学结构图
SMILES: C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)C(=NO)c2cc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)ccc2C3=NO)C1
化学属性
| Mol. Weight | 588.74 |
|---|---|
| Appearance | Solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name Translation | rel-2,7-双(((3R,5S)-3,5-二甲基哌啶-1-基)磺酰基)蒽-9,10-二酮二肟 |
|---|---|
| Chemical Name | rel-2,7-Bis[[(3R,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]-9,10-anthracenedione 9,10-dioxime |
| Formula | C28H36N4O6S2 |
| Synonym | BC2059; BC-2059; BC 2059; tegavivint; Tegatrabetan, |
| IUPAC Name | (9E,10E)-2,7-bis(((3R,5S)-3,5-dimethylpiperidin-1-yl)sulfonyl)anthracene-9,10-dione dioxime |
| InChIKey | GAPRVZKWPDRAJA-TVRZPQSBSA-N |
| InChI | InChI=1S/C28H36N4O6S2/c1-17-9-18(2)14-31(13-17)39(35,36)21-5-7-23-25(11-21)28(30-34)26-12-22(6-8-24(26)27(23)29-33)40(37,38)32-15-19(3)10-20(4)16-32/h5-8,11-12,17-20,33-34H,9-10,13-16H2,1-4H3/b29-27-,30-28+/t17-,18+,19-,20+ |
| Canonical SMILES | O=S(C1=CC2=C(C=C1)/C(C3=CC=C(S(=O)(N4C[C@H](C)C[C@H](C)C4)=O)C=C3/C2=N\O)=N\O)(N5C[C@H](C)C[C@H](C)C5)=O |
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产品应用
- Tegatrabetan, also known as Tegavivint and BC2059, is an orally bioavailable and potent β-catenin inhibitor. BC2059 potently induces apoptosis as a single agent and in combination with bortezomib in multiple myeloma. BC2059 induced apoptosis in 10/10 genetically heterogeneous human myeloma cell lines (HMCL) treated with dosages ranging from 50-500nM.
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