ITMN 4077

Name: ITMN 4077
Brand: MedChemExpress
SKU: HY-I0179
Rating: 4.5 (1 reviews)

Cat. No.: HY-I0179 Purity: 99.65%: FAQs
Data Sheet SDS COA Handling Instructions

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ITMN 4077 is a macrocyclic inhibitor against Hepatitis C Virus (HCV) NS3 protease (EC₅₀: 2131 nM).

For research use only. We do not sell to patients.

ITMN 4077 Chemical Structure

CAS No. : 790305-05-4

Size	Price	Stock	Quantity
Free Sample (0.1 - 0.5 mg)		Apply Now
5 mg	USD 55	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 88	In-stock	Estimated Time of Arrival: December 31
25 mg	USD 150	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 230	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 345	In-stock	Estimated Time of Arrival: December 31
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Based on 1 publication(s) in Google Scholar

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Description

ITMN 4077 is a macrocyclic inhibitor against Hepatitis C Virus (HCV) NS3 protease (EC₅₀: 2131 nM)^[1]^[2].

IC₅₀ & Target

HCV NS3 protease^[2]

Cellular Effect

Cell Line	Type	Value	Description	References
Huh-7	EC₅₀	2131 nM Compound: 131	Antiviral activity against Hepatitis C virus infected in human HuH7 cells assessed as inhibition of HCV subgenomic replicon replication after 72 hrs by ELISA Antiviral activity against Hepatitis C virus infected in human HuH7 cells assessed as inhibition of HCV subgenomic replicon replication after 72 hrs by ELISA	[PMID: 23672640]

Molecular Weight

568.68

Formula

C₂₆H₄₀N₄O₈S

CAS No.

790305-05-4

Appearance

Solid

Color

White to off-white

SMILES

O=C(N1)[C@@H]2C[C@@H](O)CN2C([C@@H](NC(OC(C)(C)C)=O)CCCCC/C=C\[C@H](C3)[C@]13C(NS(C4CC4)(=O)=O)=O)=O

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : ≥ 100 mg/mL (175.85 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	1.7585 mL	8.7923 mL	17.5846 mL
5 mM	0.3517 mL	1.7585 mL	3.5169 mL
10 mM	0.1758 mL	0.8792 mL	1.7585 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, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

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 (4.40 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 (4.40 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 (4.40 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: 99.65%

Select Batch:

Data Sheet (277 KB) SDS (393 KB)

COA (257 KB) LCMS (259 KB)

Handling Instructions (2659 KB)

References

[1]. Rajagopalan R, et al. Inhibition and binding kinetics of the hepatitis C virus NS3 protease inhibitor ITMN-191 reveals tight binding and slow dissociative behavior. Biochemistry. 2009 Mar 24;48(11):2559-68. [Content Brief]

[2]. Jiang Y, et al. Discovery of danoprevir (ITMN-191/R7227), a highly selective and potent inhibitor of hepatitis C virus (HCV) NS3/4A protease. J Med Chem. 2014 Mar 13;57(5):1753-69. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	1.7585 mL	8.7923 mL	17.5846 mL	43.9615 mL
	5 mM	0.3517 mL	1.7585 mL	3.5169 mL	8.7923 mL
	10 mM	0.1758 mL	0.8792 mL	1.7585 mL	4.3961 mL
	15 mM	0.1172 mL	0.5862 mL	1.1723 mL	2.9308 mL
	20 mM	0.0879 mL	0.4396 mL	0.8792 mL	2.1981 mL
	25 mM	0.0703 mL	0.3517 mL	0.7034 mL	1.7585 mL
	30 mM	0.0586 mL	0.2931 mL	0.5862 mL	1.4654 mL
	40 mM	0.0440 mL	0.2198 mL	0.4396 mL	1.0990 mL
	50 mM	0.0352 mL	0.1758 mL	0.3517 mL	0.8792 mL
	60 mM	0.0293 mL	0.1465 mL	0.2931 mL	0.7327 mL
	80 mM	0.0220 mL	0.1099 mL	0.2198 mL	0.5495 mL
	100 mM	0.0176 mL	0.0879 mL	0.1758 mL	0.4396 mL

ITMN 4077 Related Classifications

Infection

Help & FAQs

Do most proteins show cross-species activity?
Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

ITMN 4077790305-05-4ITMN4077ITMN-4077HCV ProteaseHCVNS3 proteaseInhibitorinhibitorinhibit

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ITMN 4077

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Complete Stock Solution Preparation Table

ITMN 4077 Related Classifications

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