Art. -Nr.: HY-12410

GNE-9822

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Based on 1 Customer Validation

GNE-9822 is a potent, orally active and selective ITK inhibitor with a K_i value of 0.7 nM, and an EC₅₀ value of 354.5 nM. GNE-9822 has good ADME properties. GNE-9822 can be used in research of asthma.

Nur für Forschungszwecke. Wir verkaufen nicht an Patienten.

Reinheit: 98.47%
CAS. Nr.: 1557232-32-2
Formel: C₂₄H₃₂N₆O
Molecular Weight:420.55

Speicherung:

Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month

GNE-9822 Chemical Structure

CAS. Nr.: 1557232-32-2

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Use of MCE Products

Fluorescent Dye

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

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

EC50: 354.5 nM (ITK)^[2]

Cellular Effect

Cell Line	Type	Value	Description	References
Hepatocyte	IC₅₀	6.2 μM Compound: 1, GNE-9822	Cytotoxicity against hepatocytes (unknown origin) Cytotoxicity against hepatocytes (unknown origin)	[PMID: 25844760]
Jurkat	IC₅₀	0.045 μM Compound: 1, GNE-9822	Inhibition of ITK in TCR stimulated human Jurkat T cells assessed as reduction of PLC-gamma phosphorylation preincubated for 30 mins followed by TCR induction for 2 mins Inhibition of ITK in TCR stimulated human Jurkat T cells assessed as reduction of PLC-gamma phosphorylation preincubated for 30 mins followed by TCR induction for 2 mins	[PMID: 25844760]
Jurkat	IC₅₀	4.7 μM Compound: 1, GNE-9822	Cytotoxicity against human Jurkat T cells without TCR stimulation assessed as cell viability by ATPlite assay Cytotoxicity against human Jurkat T cells without TCR stimulation assessed as cell viability by ATPlite assay	[PMID: 25844760]
Jurkat	IC₅₀	55 nM Compound: 28	Inhibition of ITK in human Jurkat cells assessed as reduction in PLC-gamma phosphorylation after 30 mins Inhibition of ITK in human Jurkat cells assessed as reduction in PLC-gamma phosphorylation after 30 mins	[PMID: 24918870]

In Vitro

GNE-9822 (compound 28) inhibits the phosphorylation of PLCγ with an IC₅₀ value of 55 nM^[1].

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

In Vivo

GNE-9822 (compound 28; po and iv; 1 and 5 mg/kg) has good bioavailability and halflives observed in mouse and rats^[1].

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

Animal Model:

BALB/c mouse and Sprague-Dawley rats^[1]
Dosage:

1 and 5 mg/kg
Administration:

po (5 mg/kg) and iv (1 mg/kg)

Result:

1.19

species	route	dose volume (mL/kg)	dose (mg/kg)	C_max (μM)	AUC (μM·h)	Cl (mL/min/kg)	T_1/2 (h)	V_ss (L/kg)	%F
mouse (BALB/c)	IV	1.0	1.0		1.5	40	2.9	10
mouse (BALB/c)	PO	5.0	50	3.8	2.7				36

Animal Model:

BALB/c mouse and Sprague-Dawley rats^[1]
Dosage:

1 and 5 mg/kg
Administration:

po (5 mg/kg) and iv (1 mg/kg)

Result:

1.19

species	route	dose volume (mL/kg)	dose (mg/kg)	C_max (μM)	AUC (μM·h)	Cl (mL/min/kg)	T_1/2 (h)	V_ss (L/kg)	%F
rat (Sprague-Dawley	IV	1.0	1.0		0.6	70	3.0	14
rat (Sprague-Dawley	PO	2.0	5.0	0.2	1.1				40

Chemical Information

CAS. Nr. 1557232-32-2
Appearance Solid
Molecular Weight 420.55
Formel C₂₄H₃₂N₆O
Color Off-white to light yellow
SMILES

CN(C)CC[C@H](N1N=CC(NC(C2=NNC3=C2CCC(C)(C)C3)=O)=C1)C4=CC=CC=C4
Versand

Room temperature in continental US; may vary elsewhere.

Speicherung

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Lösungsmittel & Löslichkeit

In Vitro:

DMSO : 62.5 mg/mL (148.61 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

2.3778 mL

11.8892 mL

23.7784 mL

5 mM

0.4756 mL

2.3778 mL

4.7557 mL

10 mM

0.2378 mL

1.1889 mL

2.3778 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 (5.94 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 (5.94 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 (5.94 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 (279 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]. Zhou D, et al. Discovery of Potent and Highly Selective Interleukin-2-Inducible T-Cell Kinase Degraders with In Vivo Activity. J Med Chem. 2023 Apr 13;66(7):4979-4998. [Content Brief]

[2]. Burch JD, et, al. Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase inhibitors. J Med Chem. 2014 Jul 10;57(13):5714-27. [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	2.3778 mL	11.8892 mL	23.7784 mL	59.4460 mL
	5 mM	0.4756 mL	2.3778 mL	4.7557 mL	11.8892 mL
	10 mM	0.2378 mL	1.1889 mL	2.3778 mL	5.9446 mL
	15 mM	0.1585 mL	0.7926 mL	1.5852 mL	3.9631 mL
	20 mM	0.1189 mL	0.5945 mL	1.1889 mL	2.9723 mL
	25 mM	0.0951 mL	0.4756 mL	0.9511 mL	2.3778 mL
	30 mM	0.0793 mL	0.3963 mL	0.7926 mL	1.9815 mL
	40 mM	0.0594 mL	0.2972 mL	0.5945 mL	1.4861 mL
	50 mM	0.0476 mL	0.2378 mL	0.4756 mL	1.1889 mL
	60 mM	0.0396 mL	0.1982 mL	0.3963 mL	0.9908 mL
	80 mM	0.0297 mL	0.1486 mL	0.2972 mL	0.7431 mL
	100 mM	0.0238 mL	0.1189 mL	0.2378 mL	0.5945 mL

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GNE-9822

Immunology/Inflammation Compound Library

Kinase Inhibitor Library

Protein Tyrosine Kinase Compound Library

Highly Selective Inhibitors Library

Serine/Threonine Kinase Inhibitor Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

Protein Kinase Compound Library

High-Throughput Bioactive Compound Library

Posttranslational Modification Library

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

GNE-9822

Immunology/Inflammation Compound Library

Kinase Inhibitor Library

Protein Tyrosine Kinase Compound Library

Highly Selective Inhibitors Library

Serine/Threonine Kinase Inhibitor Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

Protein Kinase Compound Library

High-Throughput Bioactive Compound Library

Posttranslational Modification Library

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

GNE-9822 Related Classifications

HY-12410 Related Classifications