Daclatasvir (BMS-790052)

别名: EBP883 中文名称：达卡他韦

目录号：S1482 Purity: 99.70%

Daclatasvir (BMS-790052, EBP883) 是一种高度选择性的HCV NS5A抑制剂，EC50为9-50 pM，在细胞培养中，作用于多种HCV复制基因型和JFH-1基因型2a的感染性病毒。Phase 3。

Daclatasvir (BMS-790052) Chemical Structure

CAS: 1009119-64-5

规格	价格	库存
5mg	1373.65	现货
50mg	7941.93	现货
更大包装有超大折扣
400-668-6834 info@selleck.cn

产品质控

批次：纯度： 99.70%

99.70

Daclatasvir (BMS-790052)相关产品

相关产品	Lomibuvir (VX-222) Danoprevir Asunaprevir PSI-6206 (GS-331007)	点击展开
相关化合物库	FDA药物库天然产物库已知活性药物库-I 蛋白酶抑制剂库泛素化化合物库	点击展开

细胞实验数据示例

细胞系	实验类型	给药浓度	孵育时间	活性描述	文献信息
GS4.3	Antiviral assay	0.15 uM	6 days	Antiviral activity against HCV infected in human GS4.3 cells assessed as inhibition of NS3/4A levels at 0.15 uM treated with fresh media containing compound every 2 days measured after 6 days by Western blot method	29232582
GS4.3	Antiviral assay	0.15 uM	6 days	Antiviral activity against HCV infected in human GS4.3 cells assessed as inhibition of viral core protein levels at 0.15 uM treated with fresh media containing compound every 2 days measured after 6 days by Western blot method	29232582
Huh7.5.1	Antiviral assay	100 pM to 1 uM		Antiviral activity against HCV genotype 1b NK/R2AN infected in human Huh7.5.1 cells expressing NS5A L31V mutant assessed as reduction in virus replication at 100 pM to 1 uM by luciferase reporter gene assay	26134551
Huh7.5.1	Antiviral assay	100 pM to 1 uM		Antiviral activity against HCV genotype 1b NK/R2AN infected in human Huh7.5.1 cells expressing NS5A Y93H mutant assessed as reduction in virus replication at 100 pM to 1 uM by luciferase reporter gene assay	26134551
Huh-luc/neo-ET replicon	Antiviral assay		48 hrs	Antiviral activity against Hepatitis C virus genotype 1b harboring NS5A L28V mutant gene in Huh-luc/neo-ET replicon cells after 48 hrs by transient replicon mutant-based luciferase assay, EC50=0.000004μM	24568313
Huh7	Antiviral assay		3 days	Antiviral activity against HCV genotype 1b infected in human Huh7 cells after 3 days by cell-based replicon assay, EC50=0.000003μM	25148100
human CEM cells	Cytotoxicity assay		3 days	Cytotoxicity against human CEM cells after 3 days, CC50=9.6 μM	25154714
HuH-Lcu-Neo	Function assay		48 hrs	Inhibition of NS5A in HCV genotype 1b infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase reporter gene assay, EC50=0.0000081μM	32202782
Huh-5.2	Antiviral assay		4 days	Antiviral activity against Hepatitis C virus genotype 1b infected in human Huh-5.2 cells assessed as decrease in HCV replicon RNA replication after 4 days by luciferase assay, EC50=0.000009μM	24900811
HuH7	Antiviral assay		3 days	Antiviral activity against HCV genotype 1b Con1 infected in human HuH7 cells assessed as inhibition of viral RNA replication after 3 days by renilla luciferase reporter gene assay, EC50=0.000009μM	24320933
HuH7	Antiviral assay		72 hrs	Antiviral activity against HCV1b infected in human HuH7 cells assessed as inhibition of viral replication after 72 hrs by FRET assay, EC50=0.000009μM	24521299
Huh7.5/J6/JFH1/EMCVIRES/hRlucNeo	Function assay		72 hrs	Inhibition of NS5A in HCV genotype 2a infected in human Huh7.5/J6/JFH1/EMCVIRES/hRlucNeo cells assessed as inhibition of replicon levels incubated for 72 hrs by luciferase reporter gene assay, IC50=0.000009μM	31710479
HuH7 replicon	Function assay		2 days	Inhibition of NS5A in HCV genotype 1b infected in human HuH7 replicon cells assessed as reduction in subgenomic viral RNA replication treated for 2 days followed by compound washout and subsequent compound dosing measured after 1 day by SEAP reporter gene, EC50=0.000009μM	30772607
Huh-luc/neo-ET replicon	Antiviral assay		48 hrs	Antiviral activity against Hepatitis C virus genotype 1b in Huh-luc/neo-ET replicon cells after 48 hrs by replicon-based luciferase assay, EC50=0.00001μM	24568313
HuH7.5/Con1/SG-Neo(I)-hRluc2aUb	Function assay		72 hrs	Inhibition of NS5A in HCV genotype 1b infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for 72 hrs by luciferase reporter gene assay, IC50=0.000023μM	31710479
HuH-Lcu-Neo	Function assay		48 hrs	Inhibition of NS5A in HCV genotype 1a infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase reporter gene assay, EC50=0.0000324μM	32202782
Huh-luc/neo-ET replicon	Antiviral assay		48 hrs	Antiviral activity against Hepatitis C virus genotype 1a in Huh-luc/neo-ET replicon cells after 48 hrs by replicon-based luciferase assay, EC50=0.0000398μM	24568313
W11.8	Antiviral assay		4 days	Antiviral activity against Hepatitis C virus genotype 1a infected in W11.8 cells assessed as decrease in NS5A expression in replicon cell after 4 days by luminescence based ELISA, EC50=0.00005μM	24900811
HuH7	Antiviral assay		3 days	Antiviral activity against HCV genotype 1a H77 infected in human HuH7 cells assessed as inhibition of viral RNA replication after 3 days by renilla luciferase reporter gene assay, EC50=0.00005μM	24320933
HuH7	Antiviral assay		72 hrs	Antiviral activity against HCV1a infected in human HuH7 cells assessed as inhibition of viral replication after 72 hrs by FRET assay, EC50=0.00005μM	24521299
HuH-Lcu-Neo	Function assay		48 hrs	Inhibition of NS5A in patient-derived HCV genotype 3a infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase reporter gene assay, EC50=0.0001145μM	32202782
Huh-luc/neo-ET replicon	Antiviral assay		48 hrs	Antiviral activity against Hepatitis C virus genotype 1b harboring NS5A L31V mutant gene in Huh-luc/neo-ET replicon cells after 48 hrs by transient replicon mutant-based luciferase assay, EC50=0.0001259μM	24568313
Huh-luc/neo-ET replicon	Antiviral assay		48 hrs	Antiviral activity against Hepatitis C virus genotype 1b harboring NS5A Y93H mutant gene in Huh-luc/neo-ET replicon cells after 48 hrs by transient replicon mutant-based luciferase assay, EC50=0.0003162μM	24568313
HuH7	Antiviral assay		72 hrs	Antiviral activity against HCV1a infected in human HuH7 cells assessed as inhibition of viral replication after 72 hrs by FRET assay, EC90=0.00038μM	24521299
HuH-Lcu-Neo	Function assay		48 hrs	Inhibition of NS5A in HCV genotype 3a con infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase reporter gene assay, EC50=0.0004115μM	32202782
HuH-Lcu-Neo	Function assay		48 hrs	Inhibition of NS5A in patient-derived HCV genotype 2a infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase reporter gene assay, EC50=0.0494μM	32202782
HuH-Lcu-Neo	Function assay		48 hrs	Inhibition of NS5A in HCV genotype 2a con infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase reporter gene assay, EC50=0.05285μM	32202782
CEM	Cytotoxicity assay		3 days	Cytotoxicity against human CEM cells after 3 days, CC50=9.6μM	22507961
Vero	Cytotoxicity assay		3 days	Cytotoxicity against african green monkey Vero cells after 3 days, CC50=21μM	22507961
HuH7	Antiviral assay		3 days	Antiviral activity against HCV genotype 1b infected in human HuH7 cells at >= 10 times antiviral EC50 after 3 days by luciferase reporter assay	28430437
HuH7	Antiviral assay		3 days	Antiviral activity against HCV genotype 1b infected in human HuH7 cells co-treated with asunaprevir after 3 days by luciferase reporter assay	28430437
HuH7	Antiviral assay			Antiviral activity against HCV genotype 1b infected in human HuH7 cells assessed as reduction in viral RNA replication, EC50=0.000004μM	26099532
HuH7	Antiviral assay			Antiviral activity against HCV1b infected in human HuH7 cells assessed as inhibition of viral replication by RT-PCR analysis, EC50=0.0000066μM	22507961
HuH7	Antiviral assay			Antiviral activity against HCV genotype 1b Con1 infected in human HuH7 cells assessed as inhibition of viral replication, EC50=0.000009μM	26077493
HuH7	Antiviral assay			Antiviral activity against HCV 1b infected in human HuH7 cells by in vitro replicon assay, EC50=0.00001μM	23466233
HuH7	Function assay			Inhibition of NS5A in HCV genotype-1b infected in human HuH7 cells by luciferase reporter gene assay, EC50=0.000023μM	25453810
HuH7	Antiviral assay			Antiviral activity against HCV genotype 1b JFH-1 infected in human HuH7 cells assessed as inhibition of viral replication, EC50=0.000028μM	26077493
HuH7	Antiviral assay			Antiviral activity against HCV 1b infected in human HuH7 cells by in vitro replicon assay, EC90=0.00003μM	23466233
HuH7	Antiviral assay			Antiviral activity against HCV genotype 1b expressing NS5A L31V mutant infected in human HuH7 cells assessed as reduction in viral RNA replication, EC50=0.000035μM	26099532
HuH7	Antiviral assay			Antiviral activity against wild type HCV genotype 1b infected in human HuH7 cells assessed as reduction in viral RNA replication, EC50=0.000048μM	26099532
HuH7	Antiviral assay			Antiviral activity against HCV genotype 5a infected in human HuH7 cells by luciferase reporter gene assay, EC50=0.000051μM	25453811
HuH7	Antiviral assay			Antiviral activity against HCV genotype 1b infected in human HuH7 cells by luciferase reporter gene assay, EC50=0.000073μM	25453811
HuH7	Function assay			Inhibition of NS5A in HCV genotype-1a infected in human HuH7 cells by luciferase reporter gene assay, EC50=0.00014μM	25453810
HuH7	Antiviral assay			Antiviral activity against HCV genotype 1a infected in human HuH7 cells by luciferase reporter gene assay, EC50=0.00014μM	25453811
HuH7	Antiviral assay			Antiviral activity against HCV genotype 1b expressing NS5A Y93H mutant infected in human HuH7 cells assessed as reduction in viral RNA replication, EC50=0.00018μM	26099532
HuH7	Antiviral assay			Antiviral activity against HCV genotype 4a infected in human HuH7 cells by luciferase reporter gene assay, EC50=0.00041μM	25453811
HuH7	Antiviral assay			Antiviral activity against HCV genotype 6a infected in human HuH7 cells by luciferase reporter gene assay, EC50=0.00045μM	25453811
HuH7	Antiviral assay			Antiviral activity against HCV genotype 3a infected in human HuH7 cells by luciferase reporter gene assay, EC50=0.00067μM	25453811
HuH7	Antiviral assay			Antiviral activity against HCV genotype 2a infected in human HuH7 cells by luciferase reporter gene assay, EC50=0.00067μM	25453811
CEM	Cytotoxicity assay			Cytotoxicity against human CEM cells, CC50=9.6μM	22704887
Vero	Cytotoxicity assay			Cytotoxicity against african green monkey Vero cells, CC50=9.6μM	23466233
CEM	Cytotoxicity assay			Cytotoxicity against human CEM cells, CC50=10μM	26099532
PBMC	Cytotoxicity assay			Cytotoxicity against human PBMC cells, CC50=19μM	22704887
Vero	Cytotoxicity assay			Cytotoxicity against african green monkey Vero cells, CC50=21μM	22704887
CEM	Cytotoxicity assay			Cytotoxicity against human CEM cells, CC50=21μM	23466233
Vero	Cytotoxicity assay			Cytotoxicity against african green monkey Vero cells, CC50=21μM	26099532
点击查看更多细胞系数据

生物活性

产品描述

特性

BMS-790052是一流的高选择性C型肝炎病毒(HCV) NS5A抑制剂， EC50为皮摩尔级。

靶点

HCV NS5A ^[1]

9 pM-50 pM(EC50)

体外研究(In Vitro)
体外研究活性	BMS-790052是到目前为止报道的最有效的HCV复制抑制剂之一,作用于HCV基因型1a和1b复制子时EC50分别为50和9 pM。 BMS-790052治疗指数(CC50/EC50)为10⁵以上，对一组10种RNA和DNA病毒没有作用效果, EC50大于10 μM, BMS-790052只针对HCV有效。^[1] BMS-790052作用于含HCV基因型1b复制子的Huh7细胞, BMS-790052抑制短暂和稳定的HCV染色体复制, EC50为1-15 pM。BMS-790052 (100 pM或1 nM)改变NS5A的亚细胞定位和生化结构。^[2] BMS-790052抑制含HCV基因型-4 NS5A基因的杂合复制子，EC50为7-13 pM。杂合复制子中的NS5A残基30是BMS-790052选择耐抗性的一个重要位点。^[3]
激酶实验	针对HCV NS5A抑制剂的FRET实验
激酶实验	肽段 (Ac-Asp-Glu-Asp [EDANS]-Glu-Glu-Abu-[COO] Ala-Ser-Lys [DABCYL]-NH2)含荧光供体{EDANS, 5-[(2-氨乙基)氨基]萘-1-磺酸} ，位于肽段一端；受体 {DABCYL, 4-[4-(二甲基氨基)苯偶氮]苯甲酸}，位于肽段另一端。通过在供体和受体之间分子能量共振转移使肽段荧光淬灭，NS3蛋白酶使肽段断裂，共振能量转移淬灭使产物释放，供体的荧光随着底物被NS3蛋白酶降解的时间而增强。反应所用试剂如下：5×荧光素酶细胞培养液用dH₂O稀释到1×,NaCl (150 mM), FRET肽(20 μM)。HCV-Huh-7细胞按每孔1×10⁴个接种在96孔板上，粘附过夜。第二天, BMS-790052加到孔中，温育72小时。用PBS冲洗板，每孔加入30 μL FRET肽实验试剂进行FRET实验。使用Cytofluor 4000仪测定吸光值。随后，40 μL荧光素酶底物加到每孔中，测定荧光值。
细胞实验	细胞系	HCV复制子细胞(Huh7)
	浓度	0.1 pM-50 µM, 溶于DMSO，最终DMSO浓度为0.5%
	孵育时间	72小时
	方法	细胞接种在96孔板上的200µL培养基中，12小时后，BMS-790052加到含HCV复制子的96孔板上。温育72小时，测定复制活性和细胞毒性。使用CellTiter-Blue测定细胞毒性。随后，移除培养基和染料，使板倒转，残留的液体用纸巾吸干，使用Renilla荧光素酶测定HCV 基因型1a细胞系的复制活性。1×Renilla荧光素酶溶解buffer (30 µL)加到每孔中，温和震荡15分钟。加入Renilla荧光素酶底物(40 µL)，使用Top Count光度计测定信号。

NCT Number	Recruitment	Conditions	Sponsor/Collaborators	Start Date	Phases
临床试验信息 (data from https://clinicaltrials.gov, updated on 2024-05-22)
NCT05992077	Recruiting	HCV Infection	ANRS Emerging Infectious Diseases	August 7 2023	Not Applicable
NCT04852614	Recruiting	Hepatitis C Virus Infection	Ain Shams University	December 1 2020	--
NCT04773756	Completed	Covid19	Alexandria University	November 1 2020	Phase 4
NCT03208322	Withdrawn	Hepatitis C	Bristol-Myers Squibb	November 30 2018	--

参考文献
[1] Gao M, et al. Nature, 2010, 465(7294), 96-100. [2] Lee C, et al. Virology, 2011, 414(1), 10-18. [3] Wang C, et al. Antimicrob Agents Chemother, 2012, 56(3), 1588-1590. [4] O'Boyle DR 2nd, et al. Antimicrob Agents Chemother, 2005, 49(4), 1346-1353. + 展开

参考文献

[4] O'Boyle DR 2nd, et al. Antimicrob Agents Chemother, 2005, 49(4), 1346-1353.

+ 展开

化学信息&溶解度

分子量	738.88	分子式	C₄₀H₅₀N₈O₆
CAS号	1009119-64-5	SDF	Download Daclatasvir (BMS-790052) SDF
Smiles	CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)C6CCCN6C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC
储存条件(自收到货起)	3年-20°C粉状	储备液保存和期限建议分装储备液，避免反复冻融！	1年-80°C溶于溶剂
储存条件(自收到货起)	3年-20°C粉状	储备液保存和期限建议分装储备液，避免反复冻融！	1个月-20°C溶于溶剂

体外溶解度
批次：

DMSO : 148 mg/mL ( (200.3 mM) ；DMSO吸湿会降低化合物溶解度，请使用新开封DMSO)

Ethanol : 148 mg/mL (200.3 mM)

Water : Insoluble

DMSO : 148 mg/mL ( (200.3 mM) ；DMSO吸湿会降低化合物溶解度，请使用新开封DMSO)

Ethanol : 148 mg/mL (200.3 mM)

Water : Insoluble

摩尔浓度计算器

体内溶解度
批次：

现配现用，请按从左到右的顺序依次添加，澄清后再加入下一溶剂

动物体内配方计算器

实验计算

摩尔浓度计算器

质量	浓度	体积	分子量
=	×	×

稀释计算器分子量计算器

动物体内配方计算器（澄清溶液）

第一步：请输入基本实验信息（考虑到实验过程中的损耗，建议多配一只动物的药量）

给药剂量 mg/kg 动物平均体重 g 每只动物给药体积 μL 动物数量只

第二步：请输入动物体内配方组成（配方适用于不溶于水的药物；不同批次药物配方比例不同，请联系Selleck为您提供正确的澄清溶液配方）

% DMSO + % + % Tween 80 + % ddH2O

%DMSO+ %

计算结果：

工作液浓度： mg/ml；

DMSO母液配制方法： mg 药物溶于μL DMSO溶液（母液浓度mg/mL，注：如该浓度超过该批次药物DMSO溶解度，请先联系Selleck）；

体内配方配制方法：取μL DMSO母液，加入μL PEG300，混匀澄清后加入μL Tween 80，混匀澄清后加入μL ddH₂O，混匀澄清。

体内配方配制方法：取μL DMSO母液，加入μL Corn oil，混匀澄清。

注意：1. 首先保证母液是澄清的；
2.一定要按照顺序依次将溶剂加入，进行下一步操作之前必须保证上一步操作得到的是澄清的溶液，可采用涡旋、超声或水浴加热等物理方法助溶。

技术支持

在订购、运输、储存和使用我们的产品的任何阶段，您遇到的任何问题，均可以通过拨打我们的热线电话400-668-6834，或者技术支持邮箱tech@selleck.cn，直接联系到我们。我们会在24小时内尽快联系您。

操作手册

如果有其他问题，请给我们留言。

* 必填项

C1=C0/X	C1:	LOG(C1):
C2=C1/X	C2:	LOG(C2):
C3=C2/X	C3:	LOG(C3):
C4=C3/X	C4:	LOG(C4):
C5=C4/X	C5:	LOG(C5):
C6=C5/X	C6:	LOG(C6):
C7=C6/X	C7:	LOG(C7):
C8=C7/X	C8:	LOG(C8):