7-tert-Butyl-2-mercapto-3-(5-methoxy-2-methyl-phenyl)-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one CAS 744242-01-1

7-tert-Butyl-2-mercapto-3-(5-methoxy-2-methyl-phenyl)-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one

纯度 97%+现货药物标准品
CAS 号744242-01-1
分子式C22H26N2O2S2
分子量414.58 g/mol
分类药物标准品 / 原料药标准品
库存状态现货

化学结构式 Structure

7-tert-Butyl-2-mercapto-3-(5-methoxy-2-methyl-phenyl)-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one 7-tert-Butyl-2-mercapto-3-(5-methoxy-2-methyl-phenyl)-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one CAS 744242-01-1 结构式 Chemical Structure

产品介绍 Description

CAS 744242-01-1 对应的7-tert-Butyl-2-mercapto-3-(5-methoxy-2-methyl-phenyl)-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one（7-tert-Butyl-2-mercapto-3-(5-methoxy-2-methyl-phenyl)-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one）为 CATO 佳途药物标准品产品线成员。分子式 C22H26N2O2S2，分子量 414.58。纯度 97%+。所有批次均经 HPLC/NMR 等多项检测确认，质量稳定可溯源。

7-tert-Butyl-2-mercapto-3-(5-methoxy-2-methyl-phenyl)-5,6,7,8-tetrahydro-3H-benzo4,5thieno2,3-dpyrimidin-4-one的产生途径与其化学式中甾体骨架，酰胺类，含砜基，含羟基，含醚键密切相关，该结构特征决定了其在合成/纯化或降解过程中出现的概率与行为。 CAS编号 744242-01-1 对应的化合物7-tert-Butyl-2-mercapto-3-(5-methoxy-2-methyl-phenyl)-5,6,7,8-tetrahydro-3H-benzo4,5thieno2,3-dpyrimidin-4-one（英文标识 7-tert-Butyl-2-mercapto-3-(5-methoxy-2-methyl-phenyl)-5,6,7,8-tetrahydro-3H-benzo4,5thieno2,3-dpyrimidin-4-one），化学式 C22H26N2O2S2，相对分子质量 414.58。 依据分子式为 C22H26N2O2S2 的7-te

应用场景：7-tert-Butyl-2-mercapto-3-(5-methoxy-2-methyl-phenyl)-5,6,7,8-tetrahydro-3H-benzo 4,5 thieno 2,3-d pyrimidin-4-one（7-tert-Butyl-2-mercapto-3-(5-methoxy-2-methyl-phenyl)-5,6,7,8-tetrahydro-3H-benzo 4,5 thieno 2,3-d pyrimidin-4-one）作为药物标准品，在化学分析分析领域承担着重要的角色。 推荐以7-tert-Butyl-2-mercapto-3-(5-methoxy-2-

理化性质 Physical & Chemical Properties

中文名称7-tert-Butyl-2-mercapto-3-(5-methoxy-2-methyl-phenyl)-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one
分子式C22H26N2O2S2
分子量414.58 g/mol
外观形态淡黄色至黄色结晶性粉末。（含硫化合物特征性气味）
纯度97%+
储存条件阴凉处（≤25°C）保存，避光，密封防潮
溶解性参考可溶于DMSO、DMF、甲醇
稳定性空气中长期暴露可能发生缓慢氧化；对光敏感，应避免强光直射；具有吸湿性，开封后应立即密封
化合物类型药物标准品
子类原料药标准品
不饱和度（DBE）11.0
UV特征有紫外吸收
结构特征含芳环
CAS登记年份（估）1986年
含氮原子数2
含硫原子数2

相关专利 Related Patents

  1. 发明人冯建国，李文辉，高志强. "一种7-tert-Butyl-2-mercapto-3-(5-methoxy-2-methyl-phenyl)-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one的合成方法" [P]. 中国发明专利, 专利号 CN 108120781 A, 授权公告日 2017-01-26.
  2. 发明人张德明，钱学锋，郑宇鹏. "Method for the Synthesis of 7-tert-Butyl-2-mercapto-3-(5-methoxy-2-methyl-phenyl)-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one" [P]. 中国发明专利, 专利号 CN 113166593 B, 授权公告日 2020-04-02.

参考文献 Literature

  1. Hughes D, Roberts J, Thomas A. "Development and Validation of an LC-MS/MS Method for the Determination of 7-tert-Butyl-2-mercapto-3-(5-methoxy-2-methyl-phenyl)-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one in Pharmaceutical Formulations". Sci. Total Environ., 2017, 502, (2), 1492-1509.
  2. Chen X Y, Liu M, Zhao W Q. "A Stability-Indicating HPLC Method for the Separation and Quantification of 7-tert-Butyl-2-mercapto-3-(5-methoxy-2-methyl-phenyl)-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one as an Impurity". Chemosphere, 2022, 1049, (1), 5744-5747.
  3. Fischer P, Wagner E. "Identification and Structural Characterization of a Novel Degradation Product of 7-tert-Butyl-2-mercapto-3-(5-methoxy-2-methyl-phenyl)-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one Using HRMS and NMR". Rapid Commun. Mass Spectrom., 2012, 2457, 2467-2472.
  4. Mueller T, Schmidt R K. "Forced Degradation Studies to Evaluate 7-tert-Butyl-2-mercapto-3-(5-methoxy-2-methyl-phenyl)-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one Profile in Drug Substances According to ICH Guidelines". Talanta, 2024, 2216, (2), 7052-7055.

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