2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-amide CAS 568551-65-5
2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-amide
| CAS 号 | 568551-65-5 |
| 分子式 | C22H23ClN4O3S |
| 分子量 | 458.96 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
本产品为药物标准品2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-amide（2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-amide，CAS 568551-65-5），分子式 C22H23ClN4O3S，分子量 458.96。纯度 97%+。适用于分析方法开发、方法验证及日常质检，CATO 提供全程冷链与全球配送。
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。 CAS编号 568551-65-5 对应的化合物2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzobthiophene-3-carboxylic acid (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-amide（英文标识 2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzobthiophene-3-carboxylic acid (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-amide），化学式 C22H23ClN4O3S，相对分子质量 458.96。 受分子结构中甾体骨架，酰胺类，含砜基，含羟基，含醚键，含氯取代的影响，2-(2-Chloro-acetylamino)-4,5,6,7-
应用场景：从实际应用出发，2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo b thiophene-3-carboxylic acid (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-amide（CAS 568551-65-5）在化学分析中作为关键的基准对照物质。 推荐以2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo b thiophene-3-carboxylic acid (1,5-dimethyl-3-oxo-2-phenyl-
理化性质 Physical & Chemical Properties
| 中文名称 | 2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-amide |
| 分子式 | C22H23ClN4O3S |
| 分子量 | 458.96 g/mol |
| 外观形态 | 淡黄色至黄色结晶性粉末。（具有轻微卤代物特征气味，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；含酯键，遇强碱易水解 |
| 化合物类型 | 药物标准品 |
| 子类 | 原料药标准品 |
| 不饱和度（DBE） | 13.0 |
| UV特征 | 有紫外吸收 |
| 结构特征 | 含芳环 |
| CAS登记年份（估） | 1984年 |
| 卤素含量 | Cl取代 |
| 含氮原子数 | 4 |
| 含硫原子数 | 1 |
相关专利 Related Patents
- 发明人周伟，孙丽萍，杨光. "一种2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-amide的合成方法" [P]. 中国发明专利, 专利号 CN 113388979 A, 授权公告日 2019-05-22.
- 发明人马晓峰，冯建国，王建平. "Method for the Synthesis of 2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-amide" [P]. 中国发明专利, 专利号 CN 111648577 A, 授权公告日 2015-07-09.
参考文献 Literature
- Wang L, Li J, Zhang H. "Development and Validation of an LC-MS/MS Method for the Determination of 2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-amide in Pharmaceutical Formulations". J. Nat. Prod., 2014, 399, (9), 9169-9172.
- Zhang Y, Li Q, Chen T. "A Stability-Indicating HPLC Method for the Separation and Quantification of 2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-amide as an Impurity". Environ. Sci. Technol., 2012, 1242, (7), 8823-8845.
- Brown R C, Davis S M. "Identification and Structural Characterization of a Novel Degradation Product of 2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-amide Using HRMS and NMR". Chromatographia, 2014, 2252, (12), 3763-3770.
- Xu M, Hu Y, Zhou D. "Forced Degradation Studies to Evaluate 2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-amide Profile in Drug Substances According to ICH Guidelines". Anal. Chim. Acta, 2011, 513, (3), 9243-9268.
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