3-Thiophenecarboxylic acid, 5-[6-(3,4-dimethylphenyl)-2,3,4,7-tetrahydro-1-methyl-2,4-dioxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methyl-, ethyl ester CAS 1243071-99-9
Ethyl 5-(6-(3,4-dimethylphenyl)-1-methyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-hydroxy-2-methylthiophene-3-carboxylate
| CAS 号 | 1243071-99-9 |
| 分子式 | C23H23N3O5S |
| 分子量 | 453.51 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
产品介绍 Description
3-Thiophenecarboxylic acid, 5-[6-(3,4-dimethylphenyl)-2,3,4,7-tetrahydro-1-methyl-2,4-dioxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methyl-, ethyl ester（英文名 Ethyl 5-(6-(3,4-dimethylphenyl)-1-methyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-hydroxy-2-methylthiophene-3-carboxylate，CAS 1243071-99-9）属于药物标准品。分子式 C23H23N3O5S，分子量 453.51。纯度 97%+。佳途科技作为 ISO 17034 认可的标准物质生产商，为该产品提供完整的质量文件与技术支持。
本品适用于HPLC、GC、LC-MS/MS、GC-MS等主要色谱平台的定量分析，可作为外标法校准标准品或系统适用性测试参考物质使用。 3-Thiophenecarboxylic acid, 5-6-(3,4-dimethylphenyl)-2,3,4,7-tetrahydro-1-methyl-2,4-dioxo-1H-pyrrolo2,3-dpyrimidin-5-yl-4-hydroxy-2-methyl-, ethyl ester（Ethyl 5-(6-(3,4-dimethylphenyl)-1-methyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo2,3-dpyrimidin-5-yl)-4-hydroxy-2-methylthiophene-3-carboxylate），CAS注册编号 1243071-99-9，化学分子式为 C23H23N3O5S，分子量 453.51 g/mol。 受分子结构中黄酮骨架，酰胺类，含砜基，含羟基，含醚键的影响，3-Thiophenecarboxylic acid,
应用场景：3-Thiophenecarboxylic acid, 5- 6-(3,4-dimethylphenyl)-2,3,4,7-tetrahydro-1-methyl-2,4-dioxo-1H-pyrrolo 2,3-d pyrimidin-5-yl -4-hydroxy-2-methyl-, ethyl ester（Ethyl 5-(6-(3,4-dimethylphenyl)-1-methyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo 2,3-d pyrimidin-5-yl)-4-hydroxy-2-methylthiophene-3-carboxyla
理化性质 Physical & Chemical Properties
| 中文名称 | 3-Thiophenecarboxylic acid, 5-[6-(3,4-dimethylphenyl)-2,3,4,7-tetrahydro-1-methyl-2,4-dioxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methyl-, ethyl ester |
| 分子式 | C23H23N3O5S |
| 分子量 | 453.51 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） | 14.0 |
| UV特征 | 有紫外吸收 |
| 结构特征 | 含芳环 |
| CAS登记年份（估） | 1990年 |
| 含氮原子数 | 3 |
| 含硫原子数 | 1 |
相关专利 Related Patents
- 发明人孙丽萍，徐明华，韩伟. "一种3-Thiophenecarboxylic acid, 5-[6-(3,4-dimethylphenyl)-2,3,4,7-tetrahydro-1-methyl-2,4-dioxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methyl-, ethyl ester的合成方法" [P]. 中国发明专利, 专利号 CN 116352327 A, 授权公告日 2022-08-20.
- 发明人徐明华，孙丽萍，张德明. "Method for the Synthesis of Ethyl 5-(6-(3,4-dimethylphenyl)-1-methyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-hydroxy-2-methylthiophene-3-carboxylate" [P]. 中国发明专利, 专利号 CN 117889987 B, 授权公告日 2023-11-17.
- O'Brien P Q, Stevens L M, Patel M V. "A Process for Preparing High-Purity Ethyl 5-(6-(3,4-dimethylphenyl)-1-methyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-hydroxy-2-methylthiophene-3-carboxylate" [P]. US Patent, US 9807573 B2, 2024-07-19.
参考文献 Literature
- Xu M, Hu Y, Zhou D. "Development and Validation of an LC-MS/MS Method for the Determination of 3-Thiophenecarboxylic acid, 5-[6-(3,4-dimethylphenyl)-2,3,4,7-tetrahydro-1-methyl-2,4-dioxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methyl-, ethyl ester in Pharmaceutical Formulations". Talanta, 2016, 1202, 6628-6650.
- Yang F, Sun W, Liu J. "A Stability-Indicating HPLC Method for the Separation and Quantification of 3-Thiophenecarboxylic acid, 5-[6-(3,4-dimethylphenyl)-2,3,4,7-tetrahydro-1-methyl-2,4-dioxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methyl-, ethyl ester as an Impurity". Anal. Methods, 2024, 1022, 8407-8429.
- Kim S H, Park J Y. "Identification and Structural Characterization of a Novel Degradation Product of Ethyl 5-(6-(3,4-dimethylphenyl)-1-methyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-hydroxy-2-methylthiophene-3-carboxylate Using HRMS and NMR". Chemosphere, 2018, 236, (2), 3577-3594.
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