GNE-9822
Based on 1 Customer Validation
GNE-9822 is a potent, orally active and selective ITK inhibitor with a Ki 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.
Para uso exclusivo en investigación. No vendemos a pacientes.
- Pureza : 98.47%
- No. CAS: 1557232-32-2
- Fòrmula: C24H32N6O
- Peso molecular:420.55
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Almacenamiento:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Actividad biológica
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Chemical Information
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Solvente y solubilidad
- Protocolo
- Pureza y Documentación
- Referencias
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Help & FAQs
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ITK/TRKA-IN-1Itk Inhibitor
Actividad biológica
Descripciòn
IC50 & Target
EC50: 354.5 nM (ITK)[2]
Cellular Effect
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| Hepatocyte | IC50 |
6.2 μM
Compound: 1, GNE-9822
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Cytotoxicity against hepatocytes (unknown origin)
Cytotoxicity against hepatocytes (unknown origin)
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[PMID: 25844760] |
| Jurkat | IC50 |
0.045 μM
Compound: 1, GNE-9822
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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
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[PMID: 25844760] |
| Jurkat | IC50 |
4.7 μM
Compound: 1, GNE-9822
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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
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[PMID: 25844760] |
| Jurkat | IC50 |
55 nM
Compound: 28
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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
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[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. Further protocols information, click here.
In Vivo
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:BALB/c mouse and Sprague-Dawley rats[1]
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Dosage:1 and 5 mg/kg
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Administration:po (5 mg/kg) and iv (1 mg/kg)
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Result:
1.19 species route dose volume (mL/kg) dose (mg/kg) Cmax (μM) AUC (μM·h) Cl (mL/min/kg) T1/2 (h) Vss (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
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Animal Model:BALB/c mouse and Sprague-Dawley rats[1]
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Dosage:1 and 5 mg/kg
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Administration:po (5 mg/kg) and iv (1 mg/kg)
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Result:
1.19 species route dose volume (mL/kg) dose (mg/kg) Cmax (μM) AUC (μM·h) Cl (mL/min/kg) T1/2 (h) Vss (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
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No. CAS 1557232-32-2
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Appearance Solid
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Peso molecular 420.55
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Fòrmula C24H32N6O
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Color Off-white to light yellow
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SMILES
CN(C)CC[C@H](N1N=CC(NC(C2=NNC3=C2CCC(C)(C)C3)=O)=C1)C4=CC=CC=C4
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Envío
Room temperature in continental US; may vary elsewhere.
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Almacenamiento
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Solvente y solubilidad
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)
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.
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.
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.
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.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
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.
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.
In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%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
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL.
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
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.
Protocolo
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Protocol for Pharmacokinetic Study
Pharmacokinetic studies quantify how an organism handles a drug over time through absorption, distribution, metabolism, and excretion, and the core experimental readout is the concentration-time profile of parent drug and, when relevant, metabolites in biological matrices such as plasma, whole blood, urine, bile, or tissue. Pharmacokinetic analysis links dose, route, exposure, clearance, half-life, distribution, bioavailability, and systemic exposure to drug efficacy and toxicity hypotheses rather than measuring a signaling pathway directly. The literature links pharmacokinetics to drug-development phenotypes by showing that drug metabolism and pharmacokinetics influence compound progression, exposure-response interpretation, safety margins, dosing strategy, and failure risk during discovery and development. DMPK science contributes to compound optimization by integrating physicochemical properties, in vitro metabolism, transporter behavior, in vivo exposure, and pharmacodynamic contex
Pureza y Documentación
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Ficha de datos (279 KB)
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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)
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Instrucciones de manejo (2659 KB)
Referencias
[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]
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.
| 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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