1132935-63-7
基本信息
达沙布韦
达塞布韦
达沙布韦 DASABUVIR
N-(6-(3-(叔丁基)-5-(2,4-二氧代-3,4-二氢嘧啶-1(2H)-基)-2-甲氧基苯基)萘-2-基)甲磺酰胺
ABT-333
Dasabuvir
ABT333
ABT 333
ABT-333/Dasabuvir
Dasabuvir (ABT-333)
N-{6-[5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-methoxy-3-(2-methyl-2-propanyl)phenyl]-2-naphthyl}methanesulfonamide
Methanesulfonamide, N-[6-[5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-3-(1,1-dimethylethyl)-2-methoxyphenyl]-2-naphthalenyl]-
N-[6-[3-tert-Butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide Dasabuvir (ABT-333)
物理化学性质
| 熔点 | >192oC (dec.) |
| 密度 | 1.317±0.06 g/cm3(Predicted) |
| 储存条件 | Hygroscopic, -20°C Freezer, Under inert atmosphere |
| 溶解度 | Chloroform (Slightly, Heated), DMSO (Slightly), Methanol (Slightly, Heated) |
| 酸度系数(pKa) | 8.52±0.30(Predicted) |
| 形态 | Solid |
| 颜色 | Pale Brown to Light Brown |
| InChI | InChI=1S/C26H27N3O5S/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18/h6-15,28H,1-5H3,(H,27,30,31) |
| InChIKey | NBRBXGKOEOGLOI-UHFFFAOYSA-N |
| SMILES | CS(NC1=CC=C2C(=C1)C=CC(C1=CC(N3C(=O)NC(=O)C=C3)=CC(C(C)(C)C)=C1OC)=C2)(=O)=O |
安全数据
| 危险性符号(GHS) | ![]() GHS07 |
| 警示词 | 警告 |
| 危险性描述 | H315-H319 |
| 防范说明 | P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 |
| WGK Germany | WGK 3 |
| REACH 注册登记 | Active |
| 存储类别 | 11 - Combustible Solids |
| 危险性类别 | Aquatic Chronic 4 |
制备方法
1132940-53-4
1132940-88-5
1132935-63-7
S3:在氮气保护下,向反应容器中加入1,4-二恶烷(141.4 L)、钯催化剂Pd(PPh3)4(3.9 kg)和水(70.68 L),随后加入N-(6-(4,4,5,5-四甲基-1,3,2-二氧杂硼杂环戊烷-2-基)萘-2-基)甲磺酰胺(23.56 kg)和1-(3-(叔丁基)-5-碘-4-甲氧基苯基)嘧啶-2,4(1H,3H)-二酮(27.13 kg),搅拌混合。接着加入碳酸钠(8.63 kg),将反应溶液保持4-6小时,期间通过TLC监测反应进度直至反应完成。反应完成后,将反应溶液冷却至40℃,然后用乙酸乙酯(235.6 L)稀释。合并的有机相用水(47.12 L)洗涤,随后在50℃下减压蒸馏浓缩有机相。粗产物中加入乙酸乙酯(94.24 L),在50-60℃下搅拌30分钟,最终得到粗产物(29.45 kg)。粗产物经过抽滤后,通过硅胶柱色谱法进行纯化。该取代反应为单一步骤,产率为76.5%。
参考文献:
[1] Patent: CN107266373, 2017, A. Location in patent: Paragraph 0057; 0058; 0059
[2] Patent: WO2009/39134, 2009, A1. Location in patent: Page/Page column 109
[3] Patent: WO2009/39127, 2009, A1. Location in patent: Page/Page column 168-169
[4] Patent: WO2009/39134, 2009, A1. Location in patent: Page/Page column 102-103; 109
常见问题列表
达塞布韦价格(试剂级)
| 报价日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
| 2026/09/15 | HY-13998R | 达塞布韦 Dasabuvir (Standard) | 1132935-63-7 | 5 mg | 1500元 |
| 2026/09/15 | HY-13998R | 达塞布韦 Dasabuvir (Standard) | 1132935-63-7 | 10 mg | 2400元 |
| 2026/09/15 | HY-13998R | 达塞布韦 Dasabuvir (Standard) | 1132935-63-7 | 25 mg | 4320元 |
