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Lopinavir

规格或纯度: ≥99%

CAS编号: 192725-17-0
分子式: C₃₇H₄₈N₄O₅
分子量: 628.8
PubChem编号: 92727

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货号 (SKU)	包装规格	是否现货	价格	数量
L129320-10mg	10mg	现货
L129320-50mg	50mg	现货
L129320-100mg	100mg	现货
L129320-250mg	250mg	现货
L129320-1g	1g	现货

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基本描述

规格或纯度	≥99%
英文名称	Lopinavir
别名	ABT-378;洛匹那韦
英文别名	ABT-378;Aluviran; Koletra; ABT 378; ABT378;(2S)-N-[(2R,4S,5S)-5-[[2-(2,6-Dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenyl-hexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide；(aS)-N-[(1S,3S,4S)-4-[[2-(2,6-Dimethylphenoxy)acetyl]amino]-3-hydroxy-
生化机理	Lopinavir is an antiretroviral of the protease inhibitor class. Inhibition of HIV-1 protease prevents cleavage of the viral polyprotein precursor and results in the release of immature, noninfectious virions. A component of combination therapy to treat HIV/AIDS.
应用	Lopinavir has been used as a ZMPSTE24 and human immunodeficiency virus protease inhibitor.
储存温度	-20°C储存
运输条件	超低温冰袋运输
产品介绍	Lopinavir is an antiviral HIV Protease Inhibitor. Lopinavir has insufficient bioavailability alone, so it is used in therapy in combination with Ritonavir, a HIV protease inhibitor, which inhibits cytochrome P450-3A4 (CYP3A4), a liver enzyme that normally metabolizes protease inhibitors. Lopinavir also has an ability to inhibit ZMPSTE24 (zinc metallopeptidase STE24).Lopinavir has been used as a ZMPSTE24 and human immunodeficiency virus protease inhibitor. Lopinavir is an antiviral HIV Protease Inhibitor. Lopinavir has insufficient bioavailability alone, so it is used in therapy in combination with Ritonavir, a HIV protease inhibitor, which inhibits cytochrome P450-3A4 (CYP3A4), a liver enzyme that normally metabolizes protease inhibitors. Lopinavir also has an ability to inhibit ZMPSTE24 (zinc metallopeptidase STE24). Lopinavir has been used as a ZMPSTE24 and human immunodeficiency virus protease inhibitor.

名称和标识符

IUPAC Name	(2S)-N-[(2S,4S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide
INCHI	InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1
InChi Key	KJHKTHWMRKYKJE-SUGCFTRWSA-N
Canonical SMILES	CC1=C(C(=CC=C1)C)OCC(=O)NC(CC2=CC=CC=C2)C(CC(CC3=CC=CC=C3)NC(=O)C(C(C)C)N4CCCNC4=O)O
分子式	C₃₇H₄₈N₄O₅
PubChem CID	92727
分子量	628.8

数据库链接

PubChem CID	92727
ChEMBL Ligand	CHEMBL729
BindingDB Ligand	50180655
DrugBank Ligand	DB01601
CAS Registry No.	192725-17-0
RCSB PDB Ligand	AB1

化学和物理性质

溶解性	Soluble in DMF (~14 mg/ml), methanol, DMSO (126 mg/ml at 25 °C), water (< 1 mg/ml at 25 °C), and ethanol (126 mg/ml at 25 °C).
熔点	124-127°C

安全信息

象形图	Health Hazard Harmful
信号词	Warning
危险声明	H315: Causes skin irritation H319: Causes serious eye irritation H335: May cause respiratory irritation H373: Causes damage to organs through prolonged or repeated exposure
预防措施声明	P261,P305+P351+P338,P280,P302+P352,P321,P405,P501,P264,P260,P271,P304+P340,P403+P233,P362+P364,P264+P265,P337+P317,P332+P317,P319

关联配体

Ligand ID	11504
名称	lopinavir
别名	ABT-378
类别	Synthetic organic
学名	(2S)-N-[(2S,4S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide
生物活性评价	Inhibits HIV1 protease with K_i 0.0013 nM in vitro .
评价	Lopinavir is an antiretroviral protease inhibitor. It has subsequently been discovered to exhibit antiviral activity against human papilloma virus (HPV), and to inhibit MERS-CoV replication in vitro . Antiviral activity against SARS-CoV-2 has been explored , however lopinavir/ritonavir therapy provided no benefit in hospitalised COVID-19 patients .

参考文献

1. Sham HL, Betebenner DA, Herrin T, Kumar G, Saldivar A, Vasavanonda S, Molla A, Kempf DJ, Plattner JJ, Norbeck DW. (2001) Synthesis and antiviral activities of the major metabolites of the HIV protease inhibitor ABT-378 (Lopinavir).. Bioorg Med Chem Lett, 11 (11): (1351-3). [PMID:11378352]
2. de Wilde AH, Jochmans D, Posthuma CC, Zevenhoven-Dobbe JC, van Nieuwkoop S, Bestebroer TM, van den Hoogen BG, Neyts J, Snijder EJ. (2014) Screening of an FDA-approved compound library identifies four small-molecule inhibitors of Middle East respiratory syndrome coronavirus replication in cell culture.. Antimicrob Agents Chemother, 58 (8): (4875-84). [PMID:24841269]
3. B?hm R, Bulin C, Waetzig V, Cascorbi I, Klein HJ, Herdegen T. (2021) Pharmacovigilance-based drug repurposing: The search for inverse signals via OpenVigil identifies putative drugs against viral respiratory infections.. Br J Clin Pharmacol, 71 (13): (1755-70). [PMID:33871897]
4. Cao B, Wang Y, Wen D, Liu W, Wang J, Fan G, Ruan L, Song B, Cai Y, Wei M et al.. (2020) A Trial of Lopinavir-Ritonavir in Adults Hospitalized with Severe Covid-19.. N Engl J Med, 382 (19): (1787-1799). [PMID:32187464]

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