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440122-66-7

中文名称 7-溴-2-(4-羟基苯基)苯并[D]恶唑-5-醇
英文名称 7-Bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
CAS 440122-66-7
分子式 C13H8BrNO3
分子量 306.11
MOL 文件 440122-66-7.mol
更新日期 2025/08/18 10:01:14
440122-66-7 结构式 440122-66-7 结构式

基本信息

中文别名
化合物WAY 200070
7-溴-2-(4-羟基苯基)苯并[D]恶唑-5-醇
英文别名
WAY 200070
WAY200070
WAY 200070
7-bromo-2-(4-hydroxyphenyl)-5-benzoxazolol
5-Benzoxazolol, 7-bromo-2-(4-hydroxyphenyl)-
7-Bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
所属类别
医药中间体:原料药中间体

物理化学性质

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
酸度系数(pKa)7.26±0.40(Predicted)
形态固体
颜色White to off-white

安全数据

危险性符号(GHS)GHS hazard pictograms
GHS06
警示词危险
危险性描述H301-H319
危险品标志T
危险类别码25-36
安全说明26-45
危险品运输编号UN 2811 6.1 / PGIII
WGK Germany3
危险等级6.1

制备方法

方法1
甲醇

67-56-1

Benzoxazole, 7-bromo-5-methoxy-2-(4-methoxyphenyl)-

440123-20-6

7-溴-2-(4-羟基苯基)苯并[D]恶唑-5-醇

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

7-溴-2-(4-羟基苯基)苯并[D]恶唑-5-醇价格(试剂级)
报价日期产品编号产品名称CAS号包装价格
2025/05/22HY-1012717-溴-2-(4-羟基苯基)苯并[D]恶唑-5-醇
WAY-200070
440122-66-710mM * 1mLin DMSO350元
2025/05/22HY-1012717-溴-2-(4-羟基苯基)苯并[D]恶唑-5-醇
WAY-200070
440122-66-75mg520元
2025/05/22HY-1012717-溴-2-(4-羟基苯基)苯并[D]恶唑-5-醇
WAY-200070
440122-66-710mg830元

常见问题列表

生物活性
WAY-200070是选择性的雌激素受体激动剂,IC50值为2.3 nM。
靶点

IC50: 2.3 nM (ERRβ), 155 nM (ERRα)

体内研究

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.

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