Lopinavir (ABT-378), 人体免疫缺陷病毒 1 型蛋白酶抑制剂

Moligand™

10mM in DMSO

CAS编号: 192725-17-0(DMSO)
分子式: C₃₇H₄₈N₄O₅
分子量: 628.8

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库存信息

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货号 (SKU)	包装规格	是否现货	价格	数量
L409004-1ml	1ml	现货

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Compound libraries (12332)

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基本描述

别名	洛匹那韦（ABT-378）
英文别名	(S)-N-((2S,4S,5S)-5-(2-(2,6-dimethylphenoxy)acetamido)-4-hydroxy-1,6-diphenylhexan-2-yl)-3-methyl-2-(2-oxo-tetrahydropyrimidin-1(2H)-yl)butanamide
规格或纯度	Moligand™, 10mM in DMSO
英文名称	Lopinavir (ABT-378)
生化机理	洛匹那韦（ABT-378）是一种强效的艾滋病毒蛋白酶抑制剂，在无细胞试验中的_Ki值为 1.3 pM。
储存温度	-80℃储存
运输条件	超低温冰袋运输
作用类型	抑制剂
作用机制	人体免疫缺陷病毒 1 型蛋白酶抑制剂
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. Information Lopinavir (ABT-378) is a potentHIV proteaseinhibitor withKiof 1.3 pM in a cell-free assay. In vitro Lopinavir binds to mutant HIV protease (V82A, V82F and V82T) with Ki of 4.9 pM, 3.7 pM and 3.6 pM, respectively. Lopinavir inhibits 93% of wild-type HIV protease activity at 0.5 nM. Lopinavir inhibits HIV protease activity in the absence and presence of 50% HS with EC50 of 17 nM and 102 nM, respectively, in MT4 cells. Lopinavir is converted to several metabolites in an NADPH-dependent manner in liver microsomes with the primary metabolites M-3 and M-4. Lopinavir is a potent inhibitor of Rh123 efflux in Caco-2 monolayers with IC50 of 1.7 mM. Lopinavir exposure (72 hours) in LS 180V cells reduces the content of intracellular Rh123. Lopinavir induces P-glycoprotein immunoreactive protein and messenger RNA levels in LS 180V cells. Lopinavir inhibits subtype C clone C6 with IC50 of 9.4 nM. Lopinavir inhibits CYP3A with IC50 of 7.3 mM in human liver microsomes, while produces negligible or weak inhibition of human CYP1A2, 2B6, 2C9, 2C19 and 2D6. In vivo Lopinavir (10 mg/kg, orally) results in Cmax of 0.8 μg/mL and oral bioavailability of 25% in rats. Cell Data cell lines： Concentrations： Incubation Time： Powder Purity:≥96%

产品属性

ALogP	4.926
hba_count	4
HBD Count	4
Rotatable Bond	15

关联靶点（人）

CYP3A4 Tclin 细胞色素P450 3A4(Cytochrome P450 3A4) (3 活性数据)

点击查看靶蛋白信息： CYP3A4

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

KCNH2 Tclin 钾电压门控通道亚家族 H 成员 2(Potassium voltage-gated channel subfamily H member 2) (1 活性数据)

点击查看靶蛋白信息： KCNH2

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

名称和识别符

分子类型	小分子
Canonical SMILES	CC(C)C(N1CCCNC1=O)C(=O)NC(CC(O)C(CC2=CC=CC=C2)NC(=O)COC3=C(C)C=CC=C3C)CC4=CC=CC=C4
分子量	628.8
Reaxy-Rn	25287947
Reaxys-RN link address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25287947&ln=

化学和物理性质

溶解性	Solubility (25°C) In vitro DMSO: 26 mg/mL (199.87 mM); Water: 10 mg/mL (76.87 mM); Ethanol: Insoluble;
DMSO(mg / mL) Max Solubility	126
DMSO(mM) Max Solubility	200.38
Water(mg / mL) Max Solubility	<1