159989-65-8
基本信息
甲磺酸奈非那韦
甲磺酸萘非那韦
奈非那维
AG-1343
NELFINAVIR MESYLATE
8a-beta))-a-betmonomethanesulfonate(salt)
droxy-2-methylbenzoyl)amino)-4-(phenylthio)butyl)-,(3s-(2(2,s*,3s*),3-alpha,4
viracept
Nelfinavir1
(3S,4aS,8aS)-N-(1,1-Dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylthio)butyl]-3-isoquinolinecarboxamide
NELFINAVIRMESYLATE(SUBJECTTOPATENTFREE)
Nelfinavir nesylate
(3S,4aS,8aS)-N-(1,1-Dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylthio)butyl]-3-isoquinolinecarboxamide mesylate
(3S,4aS,8aS)-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenylsulfanyl-butyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
物理化学性质
| 熔点 | 131-135°C |
| 储存条件 | Keep in dark place,Inert atmosphere,2-8°C |
| 溶解度 | 二甲基亚砜：≥2mg/mL |
| 酸度系数(pKa) | pKa -1.20(at 25℃) |
| 形态 | 粉末 |
| 颜色 | 白色至灰白色 |
| 水溶解性 | 4.5g/L(temperature not stated) |
| Merck | 14,6443 |
| BCS Class | 2,4 |
| 稳定性 | DMSO中的溶液可在-20°下稳定储存3个月。 |
| InChIKey | NQHXCOAXSHGTIA-SKXNDZRYSA-N |
| SMILES | CC1=C(O)C=CC=C1C(N[C@@H](CSC2=CC=CC=C2)[C@H](O)CN3[C@H](C(NC(C)(C)C)=O)C[C@@]4([H])[C@@](CCCC4)([H])C3)=O.[CH2]S(O)(=O)=O |
| CAS 数据库 | 159989-65-8(CAS DataBase Reference) |
安全数据
| 危险性符号(GHS) |  GHS07 |
| 警示词 | 警告 |
| 危险性描述 | H413 |
| 防范说明 | P501-P273 |
| WGK Germany | 3 |
| RTECS号 | NW6995333 |
| 海关编码 | 29334900 |
| 存储类别 | 11 - Combustible Solids |
| 毒害物质数据 | 159989-65-8(Hazardous Substances Data) |
应用领域
制备方法
75-75-2
159989-64-7
159989-65-8
在25-35℃条件下，将甲基磺酸（8.46g，88mmol）缓慢加入至(3S,4aS,8aS)-N-(叔丁基)-2-((2R,3R)-2-羟基-3-(3-羟基-2-甲基苯甲酰胺基)-4-(苯硫基)丁基)十氢异喹啉-3-羧酰胺（50g，88mmol）的丙酮（400ml）悬浮液中，持续搅拌直至形成澄清溶液。将反应混合物于20-25℃下继续搅拌2小时，随后通过过滤收集沉淀产物，并用丙酮（100ml）洗涤。将所得固体在70-75℃下进行减压干燥，直至失重（LOD）达到-8% w/w，最终获得57.5g（产率98%）的(3S,4aS,8aS)-N-(叔丁基)-2-((2R,3R)-2-羟基-3-(3-羟基-2-甲基苯甲酰胺)-4-(苯硫基)丁基)十氢异喹啉-3-甲酰胺 甲磺酸盐，其纯度经高效液相色谱（HPLC）分析大于99.5%，并通过X射线衍射（XRD）确认其结晶形态。
参考文献：
[1] Patent: WO2008/41087, 2008, A1. Location in patent: Page/Page column 6
[2] Patent: WO2008/41087, 2008, A1. Location in patent: Page/Page column 10-11
[3] Patent: EP1361216, 2003, A1. Location in patent: Page/Page column 30
[4] Patent: WO2006/21964, 2006, A2. Location in patent: Page/Page column 6
[5] Patent: EP1361216, 2003, A1. Location in patent: Page/Page column 30-31
甲磺酸奈非那韦价格(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-15287AR | 甲磺酸奈非那韦 Nelfinavir Mesylate (Standard) | 159989-65-8 | 5 mg | 1250元 |
| 2026/09/15 | HY-15287AR | 甲磺酸奈非那韦 Nelfinavir Mesylate (Standard) | 159989-65-8 | 10 mg | 2000元 |
| 2026/09/15 | HY-15287AR | 甲磺酸奈非那韦 Nelfinavir Mesylate (Standard) | 159989-65-8 | 25 mg | 4000元 |
常见问题列表
| Target | Value |
|
HIV protease
(Cell-free assay) | 2 nM(Ki) |
Nelfinavir (AG1341) Mesylate (1-10 μM; 48 hours) inhibits the proliferation of multiple myeloma cells.
Nelfinavir Mesylate inhibits 26S chymotrypsin-like proteasome activity, impairs proliferation and triggers apoptosis of the myeloma cell lines and fresh plasma cells.
Nelfinavir Mesylate (1-10 μM; 17 hours) induces apoptosis of multiple myeloma cell lines.
Nelfinavir Mesylate (5 μM; 0-24 hours) decreases the phosphorylation of AKT.
Nelfinavir Mesylate activates the cleavage of caspase-3, decreases the phosphorylation of AKT, STAT-3, ERK1/2, and activates the pro-apoptotic pathway of the unfolded protein response system.
Cell Proliferation Assay
| Cell Line: | RPMI, LP1, U266, OPM2 and MM1S cells |
| Concentration: | 1, 2, 5, 10 μM |
| Incubation Time: | 48 hours |
| Result: | Inhibited the proliferation of RPMI, LP1, U266, OPM2 and MM1S cell lines in a dose-dependent manner with an IC 50 of 1-5 μM. |
Apoptosis Analysis
| Cell Line: | LP1 and U266 cells |
| Concentration: | 1-10 μM |
| Incubation Time: | 17 hours |
| Result: | Induced a dose-dependent increase in the percentage of annexin V + /propidium iodide + cells. |
Western Blot Analysis
| Cell Line: | U266 cells |
| Concentration: | 5 μM |
| Incubation Time: | 0-24 hours |
| Result: | The level of AKT phosphorylation in U266 cells decreased. |