Ixabepilone (1S,3S,7S,10R,11S,12S,16R)-7,11-二羟基-8,8,10,12,16-五甲基-3-((E)-1-(2-甲基噻唑-4-基)丙烷-1-烯-2-基)-17-氧杂-4-氮杂双环并[14.1.0]十七烷-5,9-二酮
CAS 219989-84-1 MFCD04307791
化学结构图
SMILES: C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)N1
化学属性
| Mol. Formula | C27H42N2O5S |
|---|---|
| Mol. Weight | 506.7 |
| Appearance | white solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name | Ixabepilone |
|---|---|
| Chemical Name Translation | (1S,3S,7S,10R,11S,12S,16R)-7,11-二羟基-8,8,10,12,16-五甲基-3-((E)-1-(2-甲基噻唑-4-基)丙烷-1-烯-2-基)-17-氧杂-4-氮杂双环并[14.1.0]十七烷-5,9-二酮 |
| Formula | C27H42N2O5S |
| Synonym | BMS247550; BMS-247550; BMS 247550; Azaepothilone BBMS 2475501. Trade name: Ixempra. |
| IUPAC Name | (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-((Z)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione |
| InChIKey | FABUFPQFXZVHFB-PVYNADRNSA-N |
| InChI | InChI=1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1 |
| Canonical SMILES | O=C(C[C@@H]1O)N[C@H](/C(C)=C/C2=CSC(C)=N2)C[C@H]3[C@@](O3)(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(C1(C)C)=O |
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产品应用
- Ixabepilone (also known as azaepothilone B, or BMS-247550) is an orally bioavailable microtubule inhibitor. Ixabepilone was a semisynthetic analogue of epothilone B with antineoplastic activity. Ixabepilone binds to tubulin and promotes tubulin polymerization and microtubule stabilization, thereby arresting cells in the G2-M phase of the cell cycle and inducing tumor cell apoptosis. This agent demonstrates antineoplastic activity against taxane-resistant cell lines. Ixabepilone was approved in 2007. Check for active clinical trials or closed clinical trials using this agent. (NCI Thesaurus) (last updated: 7/10/2015).
相关文献及参考
- [1]. John T. Hunt Discovery of Ixabepilone. Mol Cancer Ther February 2009 8; 275
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