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                同义名:
                    
                        
                            沙奎拉韦
                            
                             / Ro 31-8959/003; Saquinavir (mesylate)
                            
                        
                    
                
                
                
                    
                     
                    
                     
                
            
Saquinavir Mesylate 是 Saquinavir 的甲磺酸盐形式,是一种 HIV 蛋白酶抑制剂,兼具抑制 SARS-CoV-2 3CLpro 主蛋白酶活性,常用于抗病毒相关研究。
 
                                 
                                
                            

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| 产品名称 | HIV Protease ↓ ↑ | HIV-1 caspid ↓ ↑ | 其他靶点 | 纯度 | |||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Dextran sulfate sodium salt(MW 40000) | ✔ | M.W 40000 | |||||||||||||||||
| Vicriviroc maleate | ✔ | 95% | |||||||||||||||||
| Rosamultin | ✔ | 97% | |||||||||||||||||
| Darunavir | ✔ | 98% | |||||||||||||||||
| Lopinavir | ++++ HIV protease, Ki: 1.3 pM | 99+% | |||||||||||||||||
| Chloroquine | ✔ | Autophagy | 95% | ||||||||||||||||
| Amprenavir | + HIV protease, IC50: 14.6 ng/mL | PXR | 99%+ | ||||||||||||||||
| NBD-556 | ✔ | 99%+ | |||||||||||||||||
| Nelfinavir Mesylate | +++ HIV protease, Ki: 2 nM | 99%+ | |||||||||||||||||
| Atazanavir Sulfate | ✔ | 98% | |||||||||||||||||
| Limonin | ✔ | 98% | |||||||||||||||||
| Saquinavir | ++ HIV proteinase, IC50: 2.7 nM | 98% | |||||||||||||||||
| Ritonavir | ✔ | 98% | |||||||||||||||||
| Azvudine | ✔ | 98% | |||||||||||||||||
| Lenacapavir | ++++ HIV-1 capsid, EC50: 0.1 nM | 97% | |||||||||||||||||
| 1. 鼠标悬停在“+”上可以显示相关IC50的具体数值。"+"越多,抑制作用越强。2. "✔"表示该化合物对相应的亚型有抑制作用,但抑制强度暂时没有相关数据。 | |||||||||||||||||||
| 描述 | Saquinavir (SAQ) mesylate is a potent inhibitor of the HIV-1 protease indicated in combination with other antiretrovirals for the management of HIV-1 infection[3]. Saquinavir is an anti-retroviral drug with very low oral bioavailability (e.g. 0.7-4.0%) due to its affinity toward efflux transporters (P-gp) and metabolic enzymes (CYP3A4)[4]. As with other HIV protease inhibitors, saquinavir inhibits the cleavage of the gag-pol protein substrate leading to the release of structurally defective and functionally inactive viral particles. It is active on both HIV-1 and HIV-2, and also has activity on chronically infected cells and HIV strains resistant to reverse transcriptase inhibitors. Saquinavir is characterised by a low bioavailability which is further reduced in the fasting state. Because of its metabolic interference with the CYP system, saquinavir cannot be coadministered with astemizole, terfenadine or cisapride. Saquinavir is generally well tolerated, with mild gastrointestinal symptoms representing the most commonly observed adverse effects[5]. | 
| Concentration | Treated Time | Description | References | |
| CEM-T4 cells | 5 µM | 7 days | To prevent HIV spreading and permit cells to revert to latency | Nat Med. 2016 Jul;22(7):807-11. | 
| tonsil-derived CD4 T cells | 5μM | 48 h | To evaluate the killing efficiency of cCAR-T cells against HIV-infected tonsil-derived CD4 T cells, results showed that killing efficiency increased with the number of effector cells. | Cell. 2019 Oct 31;179(4):880-894.e10. | 
| PC3 cells | 10 μM | 24 h | To evaluate the cytotoxicity of Saquinavir on PC3 cells, results showed that Saquinavir significantly reduced the viability of PC3 cells | Cell Death Dis. 2022 Mar 19;13(3):252. | 
| LASCPC01 cells | 10 μM | 24 h | To evaluate the cytotoxicity of Saquinavir on LASCPC01 cells, results showed that Saquinavir significantly reduced the viability of LASCPC01 cells | Cell Death Dis. 2022 Mar 19;13(3):252. | 
| resting CD4 T cells | 1.25 µM | 3 days | To study the expression of HIV Gag protein in directly infected resting CD4 T cells, and it was found that Gag/H11001 cells lacked surface CD4, indicating these cells expressed multiple viral proteins. | J Virol. 2015 Nov 4;90(5):2165-79. | 
| Administration | Dosage | Frequency | Description | References | ||
| Macaques | SIV infection model | Oral | 205 mg/kg | Twice daily until necropsy | To study the antiviral effects of Saquinavir in the SIV-infected macaque model | Ann Neurol. 2011 Jan;69(1):100-10 | 
| Albino male rabbits | Albino male rabbits | Oral and intranasal administration | 15 mg/kg | To evaluate the pharmacokinetic parameters of the SQ-cubosomal thermogelling formulation, the results showed that the relative bioavailability of the intranasal thermogelling formulation was 12-fold higher compared to the oral aqueous suspension and 2.5-fold higher compared to the intranasal aqueous suspension. | Int J Nanomedicine. 2020 Jul 16;15:5113-5129 | |
| Mice | LASCPC01 and C4-2-MDVR xenograft model | Intraperitoneal injection | 25 mg/kg | Twice a week for 4 weeks | To evaluate the tumor growth inhibitory effect of Saquinavir on LASCPC01 and C4-2-MDVR xenografts, results showed that Saquinavir significantly inhibited tumor growth | Cell Death Dis. 2022 Mar 19;13(3):252. | 
| NCT号 | 适应症或疾病 | 临床期 | 招募状态 | 预计完成时间 | 地点 | 
| NCT00035932 | HIV Infections | Phase 3 | Completed | - | - | 
| NCT00197145 | Infection, Human Immunodeficie... 展开 >>ncy Virus I 收起 << | Phase 3 | Terminated | - | - | 
| NCT00197145 | - | Terminated | - | - | |
| 计算器 | ||||
| 存储液制备 |  | 1mg | 5mg | 10mg | 
| 1 mM 5 mM 10 mM | 1.30mL 0.26mL 0.13mL | 6.52mL 1.30mL 0.65mL | 13.04mL 2.61mL 1.30mL | |
| CAS号 | 149845-06-7 | 
| 分子式 | C39H54N6O8S | 
| 分子量 | 766.95 | 
| SMILES Code | CS(=O)(O)=O.O=C(C1=NC2=C(C=CC=C2)C=C1)N[C@@H](CC(N)=O)C(N[C@@H](CC3=CC=CC=C3)[C@H](O)CN4[C@@H](C[C@@]5([H])[C@@](CCCC5)([H])C4)C(NC(C)(C)C)=O)=O | 
| MDL No. | MFCD00944907 | 
| 别名 | 沙奎拉韦 ;Ro 31-8959/003; Saquinavir (mesylate) | 
| 运输 | 蓝冰 | 
| InChI Key | IRHXGOXEBNJUSN-YOXDLBRISA-N | 
| Pubchem ID | 60934 | 
| 存储条件 | In solvent -20°C: 3-6个月 -80°C: 12个月 Pure form Inert atmosphere, 2-8°C | 
| 溶解方案 | DMSO: 16 mg/mL(20.86 mM),配合低频超声助溶,注意:DMSO长时间开封后,会吸水并导致溶解能力下降,请避免使用长期开封的DMSO 以下溶解方案都请先按照体外实验的方式配制澄清的储备液,再依次添加助溶剂: ——为保证实验结果的可靠性,澄清的储备液可以根据储存条件,适当保存;体内实验的工作液,建议现用现配,当天使用; 以下溶剂前显示的百分比是指该溶剂在终溶液中的体积占比;如在配制过程中出现沉淀、析出现象,可以通过加热和/或超声的方式助溶 
 
 
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