产品说明书

Darunavir

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Chemical Structure| 206361-99-1 同义名 : 地瑞那韦 ;UIC-94017;TMC114
CAS号 : 206361-99-1
货号 : A116353
分子式 : C27H37N3O7S
纯度 : 98%
分子量 : 547.664
MDL号 : MFCD09260006
存储条件：

粉末 Keep in dark place,Sealed in dry,Store in freezer, under -20°C

液体 -20°C:3-6个月-80°C:12个月
溶解度 :

DMSO: 105 mg/mL(191.72 mM)，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
动物实验配方：
生物活性
靶点

  • HIV Protease
描述 Darunavir is an antiretroviral protease inhibitor that is used in the therapy and prevention of human immunodeficiency virus (HIV) infection and the acquired immunodeficiency syndrome (AIDS). Darunavir is a proteinomimetic, azapeptide that blocks the catalytic site of the HIV protease preventing cleavage of viral polyprotein precursors into mature, functional proteins that are necessary for viral replication. Ritonavir-boosted darunavir, as a component of antiretroviral therapy (ART), is indicated for the treatment of HIV-1 infection in adult and paediatric patients Boosted darunavir is generally well tolerated, with gastrointestinal disturbances and lipid abnormalities among the most common tolerability issues[3]. Darunavir is a nonpeptidic inhibitor of protease (PR) that lodges itself in the active site of PR through a number of hydrogen bonds. Darunavir interacts with these catalytic aspartates and the backbone of the active site through hydrogen bonds, specifically binding to residues Asp25, Asp25’, Asp 29, Asp 30, Asp 30’, and Gly 27. This interaction prevents viral replication, as it competitively inhibits the viral polypeptides from gaining access to the active site and strongly binds to the enzymatic portions of this protein [4].
临床研究
NCT号 适应症或疾病 临床期 招募状态 预计完成时间 地点
NCT03042390 - Completed - Spain ... 展开 >> Hospital Costa del Sol Malaga, Marbella, Spain Hospital Clinic i Provincial Barcelona, Spain Hospital de la Santa Creu i Sant Pau Barcelona, Spain Hospital del Mar Barcelona, Spain Hospital del Vall d'Hebron Barcelona, Spain Hospital Germans Trias i Pujol Barcelona, Spain Hospital de Guadalajara Guadalajara, Spain Hospital Infanta Leonor Madrid, Spain Hospital La Paz Madrid, Spain Hospital La Princesa Madrid, Spain Hospital Príncipe de Asturias Madrid, Spain Hospital Puerta de Hierro Madrid, Spain Hospital Ramón y Cajal Madrid, Spain Hospital Virgen de la Victoria Malaga, Spain Hospital de Son Llatzer Palma de Mallorca, Spain Hospital de Valme Sevilla, Spain Complejo Hospitalario de Toledo Toledo, Spain Hospital Clínico de Valencia Valencia, Spain Hospital La Fe Valencia, Spain Complejo Hospitalaria Alvaron Cunqueiro Vigo, Spain 收起 <<
NCT01449929 Infection, Human Immunodeficie... 展开 >>ncy Virus 收起 << Phase 3 Completed - -
NCT00854204 HIV-I Phase 1 Completed - -
实验方案
1mg 5mg 10mg

1 mM

5 mM

10 mM

1.83mL

0.37mL

0.18mL

9.13mL

1.83mL

0.91mL

18.26mL

3.65mL

1.83mL
参考文献

[1]Meher BR, Wang Y. Interaction of I50V mutant and I50L/A71V double mutant HIV-protease with inhibitor TMC114 (darunavir): molecular dynamics simulation and binding free energy studies. J Phys Chem B. 2012 Feb 16;116(6):1884-900.

[2]Kovalevsky AY, Louis JM, et al. Structural evidence for effectiveness of darunavir and two related antiviral inhibitors against HIV-2 protease. J Mol Biol. 2008 Dec 5;384(1):178-92.

[3]Deeks ED. Darunavir: a review of its use in the management of HIV-1 infection. Drugs. 2014 Jan;74(1):99-125. doi: 10.1007/s40265-013-0159-3. PMID: 24338166.

[4] Leonis G, Czyżnikowska Ż, Megariotis G, Reis H, Papadopoulos MG. Computational studies of darunavir into HIV-1 protease and DMPC bilayer: necessary conditions for effective binding and the role of the flaps. J Chem Inf Model. 2012 Jun 25;52(6):1542-58. doi: 10.1021/ci300014z. Epub 2012 May 30. PMID: 22587384.