Art. -Nr.: HY-132174

CHIKV-IN-2

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CHIKV-IN-2 is a potent inhibitor against Chikungunya virus (CHIKV), with excellent cellular antiviral activity (EC₉₀=270 nM) and improved liver microsomal stability. CHIKV-IN-2 shows inhibitory activity against a cellular target Dihydroorotate Dehydrogenase (DHODH), which interacts with various viruses and regulate their replication via depleting intracellular pyrimidine pools.

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Reinheit: 98.78%
CAS. Nr.: 2361289-44-1
Formel: C₂₃H₂₆N₂O₂
Molecular Weight:362.46

Speicherung:

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

CHIKV-IN-2 Chemical Structure

CAS. Nr.: 2361289-44-1

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Biologische Aktivität
- Beschreibung
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
Chemical Information
Lösungsmittel & Löslichkeit
- In Vitro
- In Vivo
Reinheit & Dokumentation
Verweise
Help & FAQs
Classifications
Bioz

Biologische Aktivität

Beschreibung

IC₅₀ & Target

EC90: 270 nM (Chikungunya virus)^[1]
Dihydroorotate Dehydrogenase^[1]

Cellular Effect

Cell Line	Type	Value	Description	References
HEK293	CC₅₀	>30 μM Compound: 8q	Cytotoxicity against HEK293 cells at 10 uM Cytotoxicity against HEK293 cells at 10 uM	[PMID: 33835811]
NHDF	CC₅₀	>30 μM Compound: 8q	Cytotoxicity against human NHDF cells assessed as cell viability measured after 24 hrs by Cell Titer Glo luminescent assay Cytotoxicity against human NHDF cells assessed as cell viability measured after 24 hrs by Cell Titer Glo luminescent assay	[PMID: 33835811]

In Vitro

CHIKV-IN-2 (compound 8q) is a potent pan-alphavirus inhibitor, with EC₉₀s of 0.85-2.5 μM for CHIKV clinical isolates and attenuated vaccine strains^[1].
CHIKV-IN-2 is active against alphavirus VEEV (EC₉₀=0.40 μM) as well as flaviviruses such as West Nile Virus (WNV, EC₉₀=0.20 μM) and Dengue Virus Strain-2 (DENV-2, EC₉₀=0.60 μM)^[1].

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

In Vivo

CHIKV-IN-2 (compound 8q) (80 mg/kg; i.p. twice a day for 3 days) significantly decreases infectious CHIKV dissemination to other tissues of mice^[1].
CHIKV-IN-2 (40 mg/kg; p.o., i.p., s.c.) exhibits moderate bioavailability (F=41%, 43%, 4%), terminal elimination half-life (t_1/2=9.9, 18.5, 18.6 h) and C_max (642, 858, 90 ng/mL) in mice^[1].
CHIKV-IN-2 (1 mg/kg; i.v.) exhibits terminal elimination half-life (t_1/2= 2.02 h) and AUC (497 h ng/mL) in mice^[1].

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

Animal Model:

Female and male C57BL/6 mice^[1]
Dosage:

80 mg/kg
Administration:

I.p. twice a day for 3 days
Result:

Failed to inhibit virus loads at the site of infection.
Decreased virus dissemination to other tissues.

Animal Model:

Male C57BL/6 mice were challenged with CHIKV in the right footpad^[1]
Dosage:

1 mg/kg for i.v. and 40 mg/kg for p.o., i.p., s.c. (Pharmacokinetic Analysis)
Administration:

I.v., p.o., i.p., s.c.
Result:

I.v.: t_1/2= 2.02 h; AUC=497 h•ng/mL.
P.o.: F=41%; t_1/2=9.9 h; C_max=642 ng/mL.
I.p.: F=43%; t_1/2=18.5 h; C_max=858 ng/mL.
S.c.: F=4%; t_1/2=18.6 h; C_max=90 ng/mL.

Chemical Information

CAS. Nr. 2361289-44-1
Appearance Solid
Molecular Weight 362.46
Formel C₂₃H₂₆N₂O₂
Color White to off-white
SMILES

O=C(NC1=CC=C(C(C)(C)C#N)C=C1)C2=CC3=C(CCCCC3)C=C2OC
Versand

Room temperature in continental US; may vary elsewhere.

Speicherung

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

Lösungsmittel & Löslichkeit

In Vitro:

DMSO : 100 mg/mL (275.89 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

2.7589 mL

13.7946 mL

27.5893 mL

5 mM

0.5518 mL

2.7589 mL

5.5179 mL

10 mM

0.2759 mL

1.3795 mL

2.7589 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. 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: ≥ 2.5 mg/mL (6.90 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.

Protocol 2

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

Solubility: ≥ 2.5 mg/mL (6.90 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.

Protocol 3

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

Solubility: ≥ 2.5 mg/mL (6.90 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 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 (274 KB)
SDS (252 KB)
- English - EN (252 KB)
- Français - FR (252 KB)
- Deutsch - DE (252 KB)
- Norwegian - NO (252 KB)
- Español - ES (252 KB)
- Swedish - SV (252 KB)
- Italian - IT (252 KB)
- Korean - KR (252 KB)
- Portuguese - PT (252 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]. Ahmed SK, et, al. Targeting Chikungunya Virus Replication by Benzoannulene Inhibitors. J Med Chem. 2021 Apr 22;64(8):4762-4786. [Content Brief]

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

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.

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	2.7589 mL	13.7946 mL	27.5893 mL	68.9731 mL
	5 mM	0.5518 mL	2.7589 mL	5.5179 mL	13.7946 mL
	10 mM	0.2759 mL	1.3795 mL	2.7589 mL	6.8973 mL
	15 mM	0.1839 mL	0.9196 mL	1.8393 mL	4.5982 mL
	20 mM	0.1379 mL	0.6897 mL	1.3795 mL	3.4487 mL
	25 mM	0.1104 mL	0.5518 mL	1.1036 mL	2.7589 mL
	30 mM	0.0920 mL	0.4598 mL	0.9196 mL	2.2991 mL
	40 mM	0.0690 mL	0.3449 mL	0.6897 mL	1.7243 mL
	50 mM	0.0552 mL	0.2759 mL	0.5518 mL	1.3795 mL
	60 mM	0.0460 mL	0.2299 mL	0.4598 mL	1.1496 mL
	80 mM	0.0345 mL	0.1724 mL	0.3449 mL	0.8622 mL
	100 mM	0.0276 mL	0.1379 mL	0.2759 mL	0.6897 mL

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CHIKV-IN-2

Anti-Infection Compound Library

Metabolism/Protease Compound Library

Antiviral Compound Library

Ferroptosis Compound Library

Mitochondria-Targeted Compound Library

Targeted Diversity Library

Metabolic Enzyme Compound Library

Multi-Target Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

Protein Kinase Compound Library

High-Throughput Bioactive Compound Library

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

CHIKV-IN-2

Anti-Infection Compound Library

Metabolism/Protease Compound Library

Antiviral Compound Library

Ferroptosis Compound Library

Mitochondria-Targeted Compound Library

Targeted Diversity Library

Metabolic Enzyme Compound Library

Multi-Target Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

Protein Kinase Compound Library

High-Throughput Bioactive Compound Library

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

CHIKV-IN-2 Related Classifications

HY-132174 Related Classifications