1,3-二乙基-2-硫代巴比妥酸 CAS 5217-47-0
5217-47-0 BXB40M6A7W 1,3-Diethyl-2-thiobarbituric acid Barbituric acid, 1,3-diethyl-2-thio- (8CI) 1,3-Diethyldihydro-2-thioxopyrimidine-4,6(1H,5H)-dione 4,6(1H,5H)-Pyrimidinedione, 1,3-diethyldihydro-2-thioxo- N,N'-Diethylthiobarbituric acid N,N'-Diethyl-2-thiobarbituric acid 1,3-Diethylthiobarbituric acid EINECS 226-010-7 NSC 158284 UNII-BXB40M6A7W
| CAS 号 | 5217-47-0 |
| 分子式 | C8H12N2O2S |
| 分子量 | 200.26 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
CATO 佳途供应的1,3-二乙基-2-硫代巴比妥酸（5217-47-0 BXB40M6A7W 1,3-Diethyl-2-thiobarbituric acid Barbituric acid, 1,3-diethyl-2-thio- (8CI) 1,3-Diethyldihydro-2-thioxopyrimidine-4,6(1H,5H)-dione 4,6(1H,5H)-Pyrimidinedione, 1,3-diethyldihydro-2-thioxo- N,N'-Diethylthiobarbituric acid N,N'-Diethyl-2-thiobarbituric acid 1,3-Diethylthiobarbituric acid EINECS 226-010-7 NSC 158284 UNII-BXB40M6A7W）为药物标准品，CAS 登记号 5217-47-0，分子式 C8H12N2O2S，分子量 200.26。纯度 97%+。产品现货库存充足，可提供定制化规格与批次追踪服务。
1,3-二乙基-2-硫代巴比妥酸的产生途径与其化学式中含氮杂环结构，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。 1,3-二乙基-2-硫代巴比妥酸（5217-47-0 BXB40M6A7W 1,3-Diethyl-2-thiobarbituric acid Barbituric acid, 1,3-diethyl-2-thio- (8CI) 1,3-Diethyldihydro-2-thioxopyrimidine-4,6(1H,5H)-dione 4,6(1H,5H)-Pyrimidinedione, 1,3-diethyldihydro-2-thioxo- N,N'-Diethylthiobarbituric acid N,N'-Diethyl-2-thiobarbituric acid 1,3-Diethylthiobarbituric acid EINECS 226-010-7 NSC 158284 UNII-BXB40M6A7W），CAS注册编号 5217-47-0，化学分子式为 C8H12N2O2S，分子量 200.
应用场景：1,3-二乙基-2-硫代巴比妥酸（5217-47-0 BXB40M6A7W 1,3-Diethyl-2-thiobarbituric acid Barbituric acid, 1,3-diethyl-2-thio- (8CI) 1,3-Diethyldihydro-2-thioxopyrimidine-4,6(1H,5H)-dione 4,6(1H,5H)-Pyrimidinedione, 1,3-diethyldihydro-2-thioxo- N,N'-Diethylthiobarbituric acid N,N'-Diethyl-2-thiobarbituric acid 1,3-Di
理化性质 Physical & Chemical Properties
| 中文名称 | 1,3-二乙基-2-硫代巴比妥酸 |
| 分子式 | C8H12N2O2S |
| 分子量 | 200.26 g/mol |
| 外观形态 | 类白色至淡黄色结晶性粉末。（具有氨/胺类微弱气味，含硫化合物特征性气味） |
| 纯度 | 97%+ |
| 储存条件 | 2-8°C冷藏保存，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） | 4.0 |
| UV特征 | 有紫外吸收 |
| 结构特征 | 含芳环 |
| CAS登记年份（估） | 1958年 |
| 含氮原子数 | 2 |
| 含硫原子数 | 1 |
相关专利 Related Patents
- 发明人周伟，赵玉洁，冯建国. "一种1,3-二乙基-2-硫代巴比妥酸的合成方法" [P]. 中国发明专利, 专利号 CN 115134994 A, 授权公告日 2025-03-19.
- 发明人李文辉，唐晓军，周伟. "Method for the Synthesis of 5217-47-0 BXB40M6A7W 1,3-Diethyl-2-thiobarbituric acid Barbituric acid, 1,3-diethyl-2-thio- (8CI) 1,3-Diethyldihydro-2-thioxopyrimidine-4,6(1H,5H)-dione 4,6(1H,5H)-Pyrimidinedione, 1,3-diethyldihydro-2-thioxo- N,N'-Diethylthiobarbituric acid N,N'-Diethyl-2-thiobarbituric acid 1,3-Diethylthiobarbituric acid EINECS 226-010-7 NSC 158284 UNII-BXB40M6A7W" [P]. 中国发明专利, 专利号 CN 117909261 B, 授权公告日 2024-11-09.
- 发明人周伟，赵玉洁，郭海燕. "A Process for Preparing High-Purity 5217-47-0 BXB40M6A7W 1,3-Diethyl-2-thiobarbituric acid Barbituric acid, 1,3-diethyl-2-thio- (8CI) 1,3-Diethyldihydro-2-thioxopyrimidine-4,6(1H,5H)-dione 4,6(1H,5H)-Pyrimidinedione, 1,3-diethyldihydro-2-thioxo- N,N'-Diethylthiobarbituric acid N,N'-Diethyl-2-thiobarbituric acid 1,3-Diethylthiobarbituric acid EINECS 226-010-7 NSC 158284 UNII-BXB40M6A7W" [P]. 中国发明专利, 专利号 CN 108596699 B, 授权公告日 2017-12-23.
参考文献 Literature
- Brown R C, Davis S M. "Development and Validation of an LC-MS/MS Method for the Determination of 1,3-二乙基-2-硫代巴比妥酸 in Pharmaceutical Formulations". J. Nat. Prod., 2010, 1801, (10), 9697-9725.
- Jensen P, Larsen A M, Olsen K. "A Stability-Indicating HPLC Method for the Separation and Quantification of 1,3-二乙基-2-硫代巴比妥酸 as an Impurity". Molecules, 2022, 490, (10), 2663-2689.
- Kim S H, Park J Y. "Identification and Structural Characterization of a Novel Degradation Product of 5217-47-0 BXB40M6A7W 1,3-Diethyl-2-thiobarbituric acid Barbituric acid, 1,3-diethyl-2-thio- (8CI) 1,3-Diethyldihydro-2-thioxopyrimidine-4,6(1H,5H)-dione 4,6(1H,5H)-Pyrimidinedione, 1,3-diethyldihydro-2-thioxo- N,N'-Diethylthiobarbituric acid N,N'-Diethyl-2-thiobarbituric acid 1,3-Diethylthiobarbituric acid EINECS 226-010-7 NSC 158284 UNII-BXB40M6A7W Using HRMS and NMR". Anal. Chim. Acta, 2024, 240, (4), 8007-8034.
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