7-溴-2-(4-羟基苯基)苯并[D]恶唑-5-醇
| 中文名称 | 7-溴-2-(4-羟基苯基)苯并[D]恶唑-5-醇 |
|---|---|
| 中文同义词 | 7-溴-2-(4-羟基苯基)苯并[D]恶唑-5-醇;化合物WAY 200070;WAY 200070,ERΒ激动剂;化合物WAY 200070,10 MM DMSO 溶液;WAY-200070 ,S0143 |
| 英文名称 | 7-Bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol |
| 英文同义词 | 7-Bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol;7-bromo-2-(4-hydroxyphenyl)-5-benzoxazolol;WAY200070;WAY 200070;5-Benzoxazolol, 7-bromo-2-(4-hydroxyphenyl)-;7-Bromo-2-(4-hydroxyphenyl)benzo[d]oxazol-5-ol;Estrogen Receptor/ERR,WAY200070,WAY-200070,Inhibitor,inhibit;WAY-200070, 10 mM in DMSO;WAY-200070 ,S0143 |
| CAS号 | 440122-66-7 |
| 分子式 | C13H8BrNO3 |
| 分子量 | 306.11 |
| EINECS号 | 604-604-1 |
| 相关类别 | |
| Mol文件 | 440122-66-7.mol |
| 结构式 | ![]() |
7-溴-2-(4-羟基苯基)苯并[D]恶唑-5-醇 性质
| 沸点 | 463.6±35.0 °C(Predicted) |
|---|---|
| 密度 | 1.720±0.06 g/cm3(Predicted) |
| 储存条件 | Store at RT |
| 溶解度 | 二甲基亚砜:≥20mg/mL |
| 形态 | 固体 |
| 酸度系数(pKa) | 7.26±0.40(Predicted) |
| 颜色 | 白色至米白色 |
| InChI | 1S/C13H8BrNO3/c14-10-5-9(17)6-11-12(10)18-13(15-11)7-1-3-8(16)4-2-7/h1-6,16-17H |
| InChIKey | BAAILVWEAXFTSF-UHFFFAOYSA-N |
| SMILES | Oc1ccc(cc1)-c2nc3cc(O)cc(Br)c3o2 |
IC50: 2.3 nM (ERRβ), 155 nM (ERRα)
Administration of WAY-200070 (30 mg/kg s.c.) causes nuclear translocation of ERRβ receptors in WT mice. Administration of WAY-200070 (30 mg/kg s.c.) produces a delayed 50% increase in dopamine in the striatum of wild type mice. WAY-200070 (30 mg/kg s.c.) reduces immobility time in the mouse tail suspension test indicating an antidepressant-like effect. In gonadally intact male and female mice WAY-200070 increases agonistic behaviors such as pushing down and aggressive grooming, while leaving attacks unaffected. Ovariectomized (ovx) mice treated with PPT fail to learn the socially acquired preference, while WAY-200070-treated ovx mice shows a two-fold prolonged preference for the food eaten by their demonstrator. WAY-200070, shows significantly decreased anxiety-like behaviors in both the open-field and elevated plus maze and significantly less depressive-like behaviors in the forced swim test.
67-56-1
440123-20-6
440122-66-7
步骤e)7-溴-2-(4-羟基苯基)-1,3-苯并恶唑-5-醇的合成路线a)操作如下:在-70℃条件下,将三溴化硼(1M,89.9mL,89.8mmol)逐滴加入到7-溴-5-甲氧基-2-(4-甲氧基苯基)-1,3-苯并恶唑(10.0g,29.94mmol)与二氯甲烷(50mL)的悬浮液中。反应混合物逐渐升温至室温,期间悬浮液转变为黑色溶液。室温下持续搅拌反应混合物2天后,将其缓慢倒入预冷(0℃)的乙醚(1000mL)中。随后,在20分钟内缓慢加入甲醇(200mL)至上述混合物中。将混合液倒入水(1.5L)中,分离有机层,用水洗涤三次,并用无水硫酸镁干燥。通过蒸发浓缩后,从丙酮/乙醚/己烷混合溶剂中结晶,得到灰白色固体产物(8.4g,收率92%,熔点298-299℃);质谱分析显示m/e 306(M + H)+。
参考文献:
[1] Patent: US2003/199562, 2003, A1
安全信息
| 更新日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
|---|---|---|---|---|---|
| 2026/07/06 | S0143 | 7-溴-2-(4-羟基苯基)苯并[D]恶唑-5-醇 WAY-200070 | 440122-66-7 | 5mg | 2514.33元 |
| 2026/07/06 | S0143 | 7-溴-2-(4-羟基苯基)苯并[D]恶唑-5-醇 WAY-200070 | 440122-66-7 | 25mg | 7608.51元 |
![7-溴-2-(4-羟基苯基)苯并[D]恶唑-5-醇 结构式](CAS/20180808/GIF/440122-66-7.gif)