CAS 1229626-28-1
1229626-28-1 5ZT4SBY0BD Neceprevir [USAN] Deldeprevir [USAN:INN] Cyclopropa(e)pyrrolo(1,2-a)(1,4)diazacyclopentadecine-14a(5H)-carboxamide, N- (cyclopropylsulfonyl)-6-(2-(3,3-difluoro-1-piperidinyl)-2-oxoethyl)- 1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-2-((7-methoxy-8-methyl-2-(4-(1- methylethyl)-2-thiazolyl)-4-quinolinyl)oxy)-5,16-dioxo-, (2R,6R,12Z,13aS,14aR,16aS)- (2R,6R,12Z,13aS,14aR,16aS)-N-(cyclopropylsulfonyl)-6-(2-(3,3-difluoropiperidin-1-yl)- 2-oxoethyl)-2-({7-methoxy-8-methyl-2-(4-(1-methylethyl)thiazol-2-yl)quinolin-4-yl}oxy)- 5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a- tetradecahydrocyclopropa(e)pyrrolo(1,2-a)(1,4)diazacyclopentadecine-14a(5H)- carboxamide Neceprevir UNII-5ZT4SBY0BD Deldeprevir
| CAS 号 | 1229626-28-1 |
| 分子式 | C45H56F2N6O8S2 |
| 分子量 | 911.09 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
CAS 1229626-28-1 对应的（1229626-28-1 5ZT4SBY0BD Neceprevir [USAN] Deldeprevir [USAN:INN] Cyclopropa(e)pyrrolo(1,2-a)(1,4)diazacyclopentadecine-14a(5H)-carboxamide, N- (cyclopropylsulfonyl)-6-(2-(3,3-difluoro-1-piperidinyl)-2-oxoethyl)- 1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-2-((7-methoxy-8-methyl-2-(4-(1- methylethyl)-2-thiazolyl)-4-quinolinyl)oxy)-5,16-dioxo-, (2R,6R,12Z,13aS,14aR,16aS)- (2R,6R,12Z,13aS,14aR,16aS)-N-(cyclopropylsulfonyl)-6-(2-(3,3-difluoropiperidin-1-yl)- 2-oxoethyl)-2-({7-methoxy-8-methyl-2-(4-(1-methylethyl)thiazol-2-yl)quinolin-4-yl}oxy)- 5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a- tetradecahydrocyclopropa(e)pyrrolo(1,2-a)(1,4)diazacyclopentadecine-14a(5H)- carboxamide Neceprevir UNII-5ZT4SBY0BD Deldeprevir）为 CATO 佳途药物标准品产品线成员。分子式 C45H56F2N6O8S2，分子量 911.09。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。
（C45H56F2N6O8S2）含有含氮杂环结构，酰胺类，含砜基，含羟基，含醚键，含氟取代。具有较强的吸湿性，卤素取代增加了化合物的密度和沸点，羧基赋予其一定的酸性特征，这些物理化学性质直接决定了其标准溶液的最佳配制方案和储存策略。含氮官能团的存在使该化合物在ESI正离子模式下具有优良的离子化效率，适合LC-MS/MS分析。 （1229626-28-1 5ZT4SBY0BD Neceprevir USAN Deldeprevir USAN:INN Cyclopropa(e)pyrrolo(1,2-a)(1,4)diazacyclopentadecine-14a(5H)-carboxamide, N- (cyclopropylsulfonyl)-6-(2-(3,3-difluoro-1-piperidinyl)-2-oxoethyl)- 1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-2-((7-methoxy-8-methyl-2-(4-(1- methylethyl)-2-thiazolyl)-4-quinolinyl
应用场景：（1229626-28-1 5ZT4SBY0BD Neceprevir USAN Deldeprevir USAN:INN Cyclopropa(e)pyrrolo(1,2-a)(1,4)diazacyclopentadecine-14a(5H)-carboxamide, N- (cyclopropylsulfonyl)-6-(2-(3,3-difluoro-1-piperidinyl)-2-oxoethyl)- 1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-2-((7-methoxy-8-methyl-2-(4-(1- met
理化性质 Physical & Chemical Properties
| 中文名称 | |
| 分子式 | C45H56F2N6O8S2 |
| 分子量 | 911.09 g/mol |
| 外观形态 | 淡黄色至黄色无定形粉末。（具有轻微卤代物特征气味，含硫化合物特征性气味，挥发性较低） |
| 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） | 20.0 |
| UV特征 | 有紫外吸收 |
| 结构特征 | 含芳环 |
| CAS登记年份（估） | 1990年 |
| 卤素含量 | F取代 |
| 含氮原子数 | 6 |
| 含硫原子数 | 2 |
相关专利 Related Patents
- Roberts E F, Hughes D C, Fischer A B. "一种的合成方法" [P]. US Patent, US 10765195 B2, 2022-01-17.
- 发明人周伟，韩伟，徐明华. "Method for the Synthesis of 1229626-28-1 5ZT4SBY0BD Neceprevir [USAN] Deldeprevir [USAN:INN] Cyclopropa(e)pyrrolo(1,2-a)(1,4)diazacyclopentadecine-14a(5H)-carboxamide, N- (cyclopropylsulfonyl)-6-(2-(3,3-difluoro-1-piperidinyl)-2-oxoethyl)- 1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-2-((7-methoxy-8-methyl-2-(4-(1- methylethyl)-2-thiazolyl)-4-quinolinyl)oxy)-5,16-dioxo-, (2R,6R,12Z,13aS,14aR,16aS)- (2R,6R,12Z,13aS,14aR,16aS)-N-(cyclopropylsulfonyl)-6-(2-(3,3-difluoropiperidin-1-yl)- 2-oxoethyl)-2-({7-methoxy-8-methyl-2-(4-(1-methylethyl)thiazol-2-yl)quinolin-4-yl}oxy)- 5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a- tetradecahydrocyclopropa(e)pyrrolo(1,2-a)(1,4)diazacyclopentadecine-14a(5H)- carboxamide Neceprevir UNII-5ZT4SBY0BD Deldeprevir" [P]. 中国发明专利, 专利号 CN 116241766 B, 授权公告日 2015-05-20.
- 发明人陈志强，李文辉，王建平. "A Process for Preparing High-Purity 1229626-28-1 5ZT4SBY0BD Neceprevir [USAN] Deldeprevir [USAN:INN] Cyclopropa(e)pyrrolo(1,2-a)(1,4)diazacyclopentadecine-14a(5H)-carboxamide, N- (cyclopropylsulfonyl)-6-(2-(3,3-difluoro-1-piperidinyl)-2-oxoethyl)- 1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-2-((7-methoxy-8-methyl-2-(4-(1- methylethyl)-2-thiazolyl)-4-quinolinyl)oxy)-5,16-dioxo-, (2R,6R,12Z,13aS,14aR,16aS)- (2R,6R,12Z,13aS,14aR,16aS)-N-(cyclopropylsulfonyl)-6-(2-(3,3-difluoropiperidin-1-yl)- 2-oxoethyl)-2-({7-methoxy-8-methyl-2-(4-(1-methylethyl)thiazol-2-yl)quinolin-4-yl}oxy)- 5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a- tetradecahydrocyclopropa(e)pyrrolo(1,2-a)(1,4)diazacyclopentadecine-14a(5H)- carboxamide Neceprevir UNII-5ZT4SBY0BD Deldeprevir" [P]. 中国发明专利, 专利号 CN 112367594 B, 授权公告日 2021-09-14.
参考文献 Literature
- Fischer P, Wagner E. "Development and Validation of an LC-MS/MS Method for the Determination of in Pharmaceutical Formulations". Chromatographia, 2012, 2134, 8683-8689.
- Jensen P, Larsen A M, Olsen K. "A Stability-Indicating HPLC Method for the Separation and Quantification of as an Impurity". Phytochemistry, 2022, 434, 9110-9114.
- Hughes D, Roberts J, Thomas A. "Identification and Structural Characterization of a Novel Degradation Product of 1229626-28-1 5ZT4SBY0BD Neceprevir [USAN] Deldeprevir [USAN:INN] Cyclopropa(e)pyrrolo(1,2-a)(1,4)diazacyclopentadecine-14a(5H)-carboxamide, N- (cyclopropylsulfonyl)-6-(2-(3,3-difluoro-1-piperidinyl)-2-oxoethyl)- 1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-2-((7-methoxy-8-methyl-2-(4-(1- methylethyl)-2-thiazolyl)-4-quinolinyl)oxy)-5,16-dioxo-, (2R,6R,12Z,13aS,14aR,16aS)- (2R,6R,12Z,13aS,14aR,16aS)-N-(cyclopropylsulfonyl)-6-(2-(3,3-difluoropiperidin-1-yl)- 2-oxoethyl)-2-({7-methoxy-8-methyl-2-(4-(1-methylethyl)thiazol-2-yl)quinolin-4-yl}oxy)- 5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a- tetradecahydrocyclopropa(e)pyrrolo(1,2-a)(1,4)diazacyclopentadecine-14a(5H)- carboxamide Neceprevir UNII-5ZT4SBY0BD Deldeprevir Using HRMS and NMR". Talanta, 2025, 2417, (3), 4629-4639.
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