HY-10466-50mg | Daclatasvir [1009119-64-5] Clinisciences

Description

Daclatasvir (BMS-790052) is a potent and orally active HCV NS5A protein inhibitor with EC₅₀s range of 9-146 pM for multiple HCV replicon genotypes. Daclatasvir is also a organic anion transporting polypeptide 1B (OATP1B) and OATP1B3 inhibitor with IC₅₀s of 1.5 µM and 3.27 µM, respectively^[1]^[2]^[3].

IC₅₀ & Target

EC50: 50 pM (HCV replicon genotype 1a), 9 pM (HCV replicon genotype 1b), 71 pM (HCV replicon genotype 2a), 146 pM (HCV replicon genotype 3a), 12 pM (HCV replicon genotype 4a) and 33 pM (HCV replicon genotype 5a)^[1]
Kd: 8 nM (NS5A33-202) and 210 nM (NS5A26-202)^[2]
IC50: 1.5 µM (OATP1B) and 3.27 µM (OATP1B3)^[3]

Cellular Effect

Cell Line	Type	Value	Description	References
CCRF-CEM	CC₅₀	9.6 μM Compound: BMS-790052	Cytotoxicity against human CEM cells after 3 days Cytotoxicity against human CEM cells after 3 days	[PMID: 22507961]
Huh-7	CC₅₀	> 10 μM Compound: 33	Cytotoxicity against human HuH7 cells infected with HCV1b by Alamar blue fluorescence assay Cytotoxicity against human HuH7 cells infected with HCV1b by Alamar blue fluorescence assay	[PMID: 24521299]
Huh-7	EC₅₀	0.003 nM Compound: 1, BMS-790052	Antiviral activity against HCV genotype 1b infected in human Huh7 cells after 3 days by cell-based replicon assay Antiviral activity against HCV genotype 1b infected in human Huh7 cells after 3 days by cell-based replicon assay	[PMID: 25148100]
Huh-7	EC₅₀	0.009 nM Compound: 33	Antiviral activity against HCV1b infected in human HuH7 cells assessed as inhibition of viral replication after 72 hrs by FRET assay Antiviral activity against HCV1b infected in human HuH7 cells assessed as inhibition of viral replication after 72 hrs by FRET assay	[PMID: 24521299]
Huh-7	EC₅₀	0.009 nM Compound: 6, BMS-790052	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 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	[PMID: 24320933]
Huh-7	EC₅₀	0.01 nM Compound: BMS, BMS-790052	Antiviral activity against HCV 1b infected in human HuH7 cells by in vitro replicon assay Antiviral activity against HCV 1b infected in human HuH7 cells by in vitro replicon assay	[PMID: 23466233]
Huh-7	EC₅₀	0.023 nM Compound: 1a	Inhibition of NS5A in HCV genotype-1b infected in human HuH7 cells by luciferase reporter gene assay Inhibition of NS5A in HCV genotype-1b infected in human HuH7 cells by luciferase reporter gene assay	[PMID: 25453810]
Huh-7	EC₅₀	0.05 nM Compound: 33	Antiviral activity against HCV1a infected in human HuH7 cells assessed as inhibition of viral replication after 72 hrs by FRET assay Antiviral activity against HCV1a infected in human HuH7 cells assessed as inhibition of viral replication after 72 hrs by FRET assay	[PMID: 24521299]
Huh-7	EC₅₀	0.05 nM Compound: 6, BMS-790052	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 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	[PMID: 24320933]
Huh-7	EC₅₀	0.051 nM Compound: 1, BMS-790052	Antiviral activity against HCV genotype 5a infected in human HuH7 cells by luciferase reporter gene assay Antiviral activity against HCV genotype 5a infected in human HuH7 cells by luciferase reporter gene assay	[PMID: 25453811]
Huh-7	EC₅₀	0.073 nM Compound: 1, BMS-790052	Antiviral activity against HCV genotype 1b infected in human HuH7 cells by luciferase reporter gene assay Antiviral activity against HCV genotype 1b infected in human HuH7 cells by luciferase reporter gene assay	[PMID: 25453811]
Huh-7	EC₅₀	0.14 nM Compound: 1, BMS-790052	Antiviral activity against HCV genotype 1a infected in human HuH7 cells by luciferase reporter gene assay Antiviral activity against HCV genotype 1a infected in human HuH7 cells by luciferase reporter gene assay	[PMID: 25453811]
Huh-7	EC₅₀	0.14 nM Compound: 1a	Inhibition of NS5A in HCV genotype-1a infected in human HuH7 cells by luciferase reporter gene assay Inhibition of NS5A in HCV genotype-1a infected in human HuH7 cells by luciferase reporter gene assay	[PMID: 25453810]
Huh-7	EC₅₀	0.41 nM Compound: 1, BMS-790052	Antiviral activity against HCV genotype 4a infected in human HuH7 cells by luciferase reporter gene assay Antiviral activity against HCV genotype 4a infected in human HuH7 cells by luciferase reporter gene assay	[PMID: 25453811]
Huh-7	EC₅₀	0.45 nM Compound: 1, BMS-790052	Antiviral activity against HCV genotype 6a infected in human HuH7 cells by luciferase reporter gene assay Antiviral activity against HCV genotype 6a infected in human HuH7 cells by luciferase reporter gene assay	[PMID: 25453811]
Huh-7	EC₅₀	0.67 nM Compound: 1, BMS-790052	Antiviral activity against HCV genotype 3a infected in human HuH7 cells by luciferase reporter gene assay Antiviral activity against HCV genotype 3a infected in human HuH7 cells by luciferase reporter gene assay	[PMID: 25453811]
Huh-7	EC₅₀	0.67 nM Compound: 1, BMS-790052	Antiviral activity against HCV genotype 2a infected in human HuH7 cells by luciferase reporter gene assay Antiviral activity against HCV genotype 2a infected in human HuH7 cells by luciferase reporter gene assay	[PMID: 25453811]
Huh-7	EC₅₀	6.6 pM Compound: BMS-790052	Antiviral activity against HCV1b infected in human HuH7 cells assessed as inhibition of viral replication by RT-PCR analysis Antiviral activity against HCV1b infected in human HuH7 cells assessed as inhibition of viral replication by RT-PCR analysis	[PMID: 22507961]
PBMC	CC₅₀	19 μM Compound: BMS-790052	Cytotoxicity against human PBMC after 3 days Cytotoxicity against human PBMC after 3 days	[PMID: 22507961]
Vero	CC₅₀	21 μM Compound: BMS-790052	Cytotoxicity against african green monkey Vero cells after 3 days Cytotoxicity against african green monkey Vero cells after 3 days	[PMID: 22507961]

In Vitro

Daclatasvir (BMS-790052) demonstrates potent inhibitory activity towards all genotypes tested, with EC₅₀ values ranging from 9 pM to 146 pM. Daclatasvir inhibits HCV replicon genotype 1a, 1b, 2a, 3a, 4a and 5a with EC₅₀ values of 50 pM, 9 pM, 71 pM, 146 pM, 12 pM and 33 pM, respectively. Daclatasvir is a potent inhibitor of the JFH-1 genotype 2a infectious virus that replicates in cell culture (EC₅₀=28 pM)^[1]. Daclatasvir (BMS-790052) binds tightly to NS5A33-202 and NS5A26-202 with K_ds of 8 nM and 210 nM, respectively^[2].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Daclatasvir (BMS-790052; 30 mg/kg; oral administration; daily; for 27 days) treatment reduces serum HCV RNA titers very rapidly by ~1.5 log₁₀ at day 3^[4].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Model:	NOD/SCID male mice (5 weeks of age, 18-20 g) bearing HCV RNA-transfected cells^[4]
Dosage:	30 mg/kg
Administration:	Oral administration; daily; for 27 days
Result:	Reduced serum HCV RNA titers very rapidly by ~1.5 log₁₀ at day 3.

Clinical Trial

Molecular Weight

738.88

Formula

C₄₀H₅₀N₈O₆

CAS No.

1009119-64-5

Appearance

Solid

Color

Light yellow to yellow

SMILES

O=C([C@@H](NC(OC)=O)C(C)C)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C5=CN=C([C@@H]6CCCN6C([C@@H](NC(OC)=O)C(C)C)=O)N5)C=C4

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	2 years
	-20°C	1 year

Solvent & Solubility

In Vitro:

DMSO : ≥ 40 mg/mL (54.14 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

*"≥" means soluble, but saturation unknown.

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	1.3534 mL	6.7670 mL	13.5340 mL
5 mM	0.2707 mL	1.3534 mL	2.7068 mL
10 mM	0.1353 mL	0.6767 mL	1.3534 mL

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

Molarity Calculator
Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.5 mg/mL (3.38 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (3.38 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 2.5 mg/mL (3.38 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: 98.76%

Select Batch:

SDS (252 KB)

COA (256 KB) LCMS (259 KB)

Handling Instructions (2659 KB)

References

[1]. Min Gao, et al. Chemical genetics strategy identifies an HCV NS5A inhibitor with a potent clinical effect. Nature. 2010 May 6;465(7294):96-100. [Content Brief]

[2]. David B Ascher, et al. Potent hepatitis C inhibitors bind directly to NS5A and reduce its affinity for RNA. Sci Rep. 2014 Apr 23;4:4765. [Content Brief]

[3]. Tomomi Furihata, et al. Different interaction profiles of direct-acting anti-hepatitis C virus agents with human organic anion transporting polypeptides. Antimicrob Agents Chemother. 2014 Aug;58(8):4555-64. [Content Brief]

[4]. Seung-Hoon Lee, et al. HA1077 displays synergistic activity with daclatasvir against hepatitis C virus and suppresses the emergence of NS5A resistance-associated substitutions in mice. Sci Rep. 2018 Aug 20;8(1):12469. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	1.3534 mL	6.7670 mL	13.5340 mL	33.8350 mL
	5 mM	0.2707 mL	1.3534 mL	2.7068 mL	6.7670 mL
	10 mM	0.1353 mL	0.6767 mL	1.3534 mL	3.3835 mL
	15 mM	0.0902 mL	0.4511 mL	0.9023 mL	2.2557 mL
	20 mM	0.0677 mL	0.3383 mL	0.6767 mL	1.6917 mL
	25 mM	0.0541 mL	0.2707 mL	0.5414 mL	1.3534 mL
	30 mM	0.0451 mL	0.2256 mL	0.4511 mL	1.1278 mL
	40 mM	0.0338 mL	0.1692 mL	0.3383 mL	0.8459 mL
	50 mM	0.0271 mL	0.1353 mL	0.2707 mL	0.6767 mL

Daclatasvir Related Classifications

Anti-infection
HCV

Daclatasvir [1009119-64-5]

Cat# HY-10466-50mg

Contact local distributor :

Brand : MedChemExpress

Contact local distributor :

Other Forms of Daclatasvir:

Molarity Calculator

Dilution Calculator

Complete Stock Solution Preparation Table

Daclatasvir Related Classifications

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Daclatasvir [1009119-64-5]

Cat# HY-10466-50mg

Contact local distributor :

Brand : MedChemExpress

Contact local distributor :

Other Forms of Daclatasvir:

Daclatasvir Related Antibodies

Molarity Calculator

Dilution Calculator

Complete Stock Solution Preparation Table

Daclatasvir Related Classifications

Keywords:

You might also be interested by the following products: