曲奥舒凡
| 中文名称 | 曲奥舒凡 |
|---|---|
| 中文同义词 | 曲奥舒凡;苏消安;(2S,3S)-2,3-二羟基丁烷-1,4-二基 二甲基磺酸酯;曲奥舒凡,10 MM DMSO 溶液;三唑烷;曲奥舒凡 Treosulfan;曲奥舒凡 Treosulfan |
| 英文名称 | treosulfan |
| 英文同义词 | TREOSULPHAN;1,2,3,4-butanetetrol 1,4-dimethanesulfonate;(2S,3S)-1-O,4-O-Di(methylsulfonyl)-L-threitol;CB-2562;L-Dihydroxy-Busulfan;Leo 40067;NSC 39069;THREOSULFAN |
| CAS号 | 299-75-2 |
| 分子式 | C6H14O8S2 |
| 分子量 | 278.3 |
| EINECS号 | 206-081-0 |
| 相关类别 | API |
| Mol文件 | 299-75-2.mol |
| 结构式 |  |
曲奥舒凡 性质
| 熔点 | 76-78 °C |
|---|---|
| 沸点 | 359.3°C (rough estimate) |
| 密度 | 1.305 (estimate) |
| 折射率 | 1.5630 (estimate) |
| 储存条件 | Store at -20°C |
| 溶解度 | 丙酮（微溶）、DMSO（微溶）、甲醇（微溶）、水（微溶） |
| 酸度系数(pKa) | 12.36±0.20(Predicted) |
| 形态 | 固体 |
| 颜色 | 灰白色至浅米色 |
| 旋光度 (Optical Rotation) | [α]/D -4.9 to -5.9°, c =1 in acetone |
| 水溶解性 | H2O: 5mg/mL, clear |
| InChI | InChI=1S/C6H14O8S2/c1-15(9,10)13-3-5(7)6(8)4-14-16(2,11)12/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1 |
| InChIKey | YCPOZVAOBBQLRI-WDSKDSINSA-N |
| SMILES | C(OS(C)(=O)=O)[C@H](O)[C@@H](O)COS(C)(=O)=O |
| CAS 数据库 | 299-75-2 |
| (IARC)致癌物分类 | 1 (Vol. 26, Sup 7, 100A) 2012 |
| EPA化学物质信息 | Treosulfan (299-75-2) |
DNA Alkylator
Treosulfan is an alkylating agent. Treosulfan inhibits several cancer cell lines, such as Panc-1, Miapaca-2 and Capan-2 cells, with IC 50 s of 3.6 μg/mL, 1.8 μg/mL and 2.1 μg/mL respectively, and shows nearly 100% cytotoxicity on these cell lines at 100 μg/mL. Treosulfan (0.1-100 μg/mL) in combination with LY 188011 exhibits enhanced activity against cancer cells. However, Treosulfan (1, 2.5, 5 μg/ml) combined with 5-FU (0.1, 0.25, 0.5 μg/ml) has antagonistic effect on Panc-1 cells at intermediate and high concentrations, and on Miapaca-2 cells at all doses. Treosulfan (800 µg/mL) dramatically reduces erythrocyte forward scatter, increases the percentage of annexin-V-binding cells, [Ca 2+ ] i , and ROS. Removal of extracellular Ca 2+ abrogates the effect of Treosulfan on annexin-V-binding.
Treosulfan (1.5 g/kg/day) induces a rapid myeloablation, depletes the splenic B and T cells in mice. Treosulfan (1.5 g/kg/day) causes olny interleukin-2 production in spleen cells for a short time and without obvious significant effect on synthesis of tumor necrosis factor-α and/or IFN-γ in mice.
安全信息
| 危险品运输编号 | 2811 |
|---|---|
| WGK Germany | WGK 3 |
| 危险等级 | 6.1(b) |
| 包装类别 | III |
| 存储类别 | 6.1C - 可燃，急性毒性 类别3 毒性化合物或者引起慢性影响的化合物 |
| 危险性类别 | 致癌性 类别1A 生殖细胞致突变性 类别1B 生殖毒性 类别2 |
| 毒害物质数据 | 299-75-2(Hazardous Substances Data) |
| 毒性 | LDLo intravenous in dog: 222mg/kg |