Art. -Nr.: HY-174819

VNRX-9945

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VNRX-9945 is a potent, broadly and orally active HBV CAM (capsid assembly modulator) with an EC₅₀ of 2.6 nM. VNRX-9945 exhibits excellent and broad antiviral activity against multiple HBV genotypes in vitro, along with favorable pharmacokinetic profiles across multiple species. VNRX-9945 demonstrates robust antiviral efficacy in the adeno-associated virus mice models of HBV (AAV-HBV) infection.

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Reinheit: 99.46%
CAS. Nr.: 2396680-45-6
Formel: C₂₃H₂₈FN₃O₄
Molecular Weight:429.48

Speicherung:

4°C, protect from light

* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)

VNRX-9945 Chemical Structure

CAS. Nr.: 2396680-45-6

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Biologische Aktivität
- Beschreibung
- In Vitro
- Parmacokinetics
- In Vivo
- Clinical Trial
Chemical Information
Lösungsmittel & Löslichkeit
- In Vitro
- In Vivo
Reinheit & Dokumentation
Verweise
Help & FAQs
Classifications
Bioz

Biologische Aktivität

Beschreibung

In Vitro

VNRX-9945 (Compound 12) demonstrates robust pan-genotypic of HBV (A-H) antiviral activity with a mean EC₅₀ range 3 to 31 nM^[1].

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

Parmacokinetics

Species	Dose	Route	C_max	AUC_0-inf	T_1/2	F	CL
Cynomolgus Monkey	10 mg/kg	p.o.	2577 ng/mL	32732 ng·h/mL	16 h	36 %	/
Cynomolgus Monkey	3 mg/kg	i.v.	/	/	/	/	2.64 mL/min/kg
Dog	10 mg/kg	p.o.	1937 ng/mL	50404 ng·h/mL	11 h	37 %	/
Dog	3 mg/kg	i.v.	/	/	/	/	1.2 mL/min/kg
Rat	10 mg/kg	p.o.	3043 ng/mL	11130 ng·h/mL	3.7 h	86 %	/
Rat	5 mg/kg	i.v.	/	/	/	/	16.3 mL/min/kg

In Vivo

VNRX-9945 (10-100 mg/kg, i.g., bid for 8 weeks) demonstrates robust antiviral efficacy in the adeno-associated virus mice models of HBV (AAV-HBV) infection^[1].

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

Animal Model:

AAV-HBV mice models (C57BL/6)^[1]
Dosage:

10, 30, and 100 mg/kg
Administration:

Oral gavage, twice daily for 8 weeks.
Result:

Resulted in a significant, dose-dependent reduction in circulating HBV DNA and HBV pgRNA levels.
Led to a > 3 log10 reduction in HBV DNA and an ∼ 2 log10 reduction in HBV pgRNA from baseline at 100 mg/kg.
Showed no changes in HBsAg and HBeAg levels, body weight and ALT levels.

Clinical Trial

NCT Number	Sponsor	Condition	Start Date	Phase A549
NCT01329991	Plexxikon\|		2011-05	PHASE1

Chemical Information

CAS. Nr. 2396680-45-6
Appearance Solid
Molecular Weight 429.48
Formel C₂₃H₂₈FN₃O₄
Color White to off-white
SMILES

O=C(C1=C(C)N(C)C(C(C(N[C@H]2CC[C@@H](O)CC2)=O)=O)=C1C)NC3=CC=C(F)C(C)=C3
Versand

Room temperature in continental US; may vary elsewhere.
Speicherung

4°C, protect from light

* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)

Lösungsmittel & Löslichkeit

In Vitro:

DMSO : 100 mg/mL (232.84 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

1 mM

2.3284 mL

11.6420 mL

23.2840 mL

5 mM

0.4657 mL

2.3284 mL

4.6568 mL

10 mM

0.2328 mL

1.1642 mL

2.3284 mL

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 (protect from light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molaritätsrechner

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

Mass Mass

Konzentration Konzentration

Volumen Volumen

Molecular Weight Molecular Weight

Verdünnungsrechner

Konzentration _{(Stammlösung)} × Volumen _{(Stammlösung)} = Konzentration _{(Ziellösung)} × Volumen _{(Ziellösung)}

Konzentration _{(Stammlösung)} Konzentration _{(Stammlösung)}

Volumen _{(Stammlösung)} Volumen _{(Stammlösung)}

Konzentration _{(Ziellösung)} Konzentration _{(Ziellösung)}

Volumen _{(Ziellösung)} Volumen _{(Ziellösung)}

In Vivo:

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

Stock Solution Working Solution

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: ≥ 5 mg/mL (11.64 mM); Clear solution

This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 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.

Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)

Solubility: ≥ 5 mg/mL (11.64 mM); Clear solution

This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.

Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil

Solubility: ≥ 5 mg/mL (11.64 mM); Clear solution

This protocol yields a clear solution of ≥ 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 (50.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage Dosage
mg/kg
Animal Weight (Per Animal) Animal Weight (Per Animal)
g
Dosing Volume (Per Animal) Dosing Volume (Per Animal)
μL
Number of Animals Number of Animals

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

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

Please enter your animal formula composition:

%
DMSO +

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
%
+
+
%
Tween-80 + +
%
Saline +

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).

Working solution concentration: 0.22 mg/mL

Reinheit & Dokumentation

Select Batch:

Reinheit: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (272 KB)
SDS (251 KB)
- English - EN (251 KB)
- Français - FR (251 KB)
- Deutsch - DE (251 KB)
- Norwegian - NO (251 KB)
- Español - ES (251 KB)
- Swedish - SV (251 KB)
- Italian - IT (251 KB)
- Korean - KR (251 KB)
- Portuguese - PT (251 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

Verweise

[1]. Bin Liu, et al. Discovery of VNRX-9945, a Potent, Broadly Active Capsid Assembly Modulator as a Clinical Candidate for the Treatment of Chronic Hepatitis B Virus Infection. ACS Med. Chem. Lett. 2025, 16, 7, 1209–1216.

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	2.3284 mL	11.6420 mL	23.2840 mL	58.2099 mL
	5 mM	0.4657 mL	2.3284 mL	4.6568 mL	11.6420 mL
	10 mM	0.2328 mL	1.1642 mL	2.3284 mL	5.8210 mL
	15 mM	0.1552 mL	0.7761 mL	1.5523 mL	3.8807 mL
	20 mM	0.1164 mL	0.5821 mL	1.1642 mL	2.9105 mL
	25 mM	0.0931 mL	0.4657 mL	0.9314 mL	2.3284 mL
	30 mM	0.0776 mL	0.3881 mL	0.7761 mL	1.9403 mL
	40 mM	0.0582 mL	0.2910 mL	0.5821 mL	1.4552 mL
	50 mM	0.0466 mL	0.2328 mL	0.4657 mL	1.1642 mL
	60 mM	0.0388 mL	0.1940 mL	0.3881 mL	0.9702 mL
	80 mM	0.0291 mL	0.1455 mL	0.2910 mL	0.7276 mL
	100 mM	0.0233 mL	0.1164 mL	0.2328 mL	0.5821 mL

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VNRX-9945

Bioactive Compound Library Max

MCE Bioactive Compound Library

Clinical Compound Library Plus

Bioactive Compound Library

High-Throughput Bioactive Compound Library

Anti-Infection Compound Library

Clinical Compound Library

Antiviral Compound Library

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

VNRX-9945

Bioactive Compound Library Max

MCE Bioactive Compound Library

Clinical Compound Library Plus

Bioactive Compound Library

High-Throughput Bioactive Compound Library

Anti-Infection Compound Library

Clinical Compound Library

Antiviral Compound Library

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

VNRX-9945 Related Classifications

HY-174819 Related Classifications