Decernotinib
Based on 4 publication(s) in Google Scholar
Decernotinib is a potent, orally active JAK3 inhibitor, with Kis of 2.5, 11, 13 and 11 nM for JAK3, JAK1, JAK2, and TYK2, respectively.
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- Pureté: 99.91%
- CAS No.: 944842-54-0
- Formule: C18H19F3N6O
- Masse moléculaire:392.38
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Stockage:
4°C, protect from light, stored under nitrogen
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen)
To place orders, for customer services and technical support, please contact: MedChemExpress USA
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Activité biologique
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Chemical Information
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Solvant et solubilité
- Protocole
- Pureté et documentation
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Publications Citing Use of MedChemExpress (MCE) Decernotinib
More
Activité biologique
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JAK3 2.5 nM (Ki) |
JAK1 11 nM (Ki) |
Tyk2 11 nM (Ki) |
JAK2 13 nM (Ki) |
FLT3 1 μM (Ki) |
ROCK I 1.5 μM (Ki) |
GSK3β 1.8 μM (Ki) |
CDK2/CycA 2.6 μM (Ki) |
PknB 8 μM (IC50) |
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| B cell | IC50 |
50 nM
Compound: 48
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Inhibition of cell proliferation in CD40L/IL-4-induced human B cells
Inhibition of cell proliferation in CD40L/IL-4-induced human B cells
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[PMID: 32120325] |
| HEL | IC50 |
2.56 μM
Compound: Decernotinib
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Cytotoxicity against HEL cells assessed as inhibition of cell growth
Cytotoxicity against HEL cells assessed as inhibition of cell growth
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[PMID: 36805946] |
| Splenocyte | IC50 |
50 nM
Compound: 48
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Inhibition of T cell proliferation in Balb/c mouse spleenocytes by MLR assay
Inhibition of T cell proliferation in Balb/c mouse spleenocytes by MLR assay
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[PMID: 32120325] |
| Splenocyte | IC50 |
50 nM
Compound: 48
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Inhibition of T cell proliferation in CBA mouse spleenocytes by MLR assay
Inhibition of T cell proliferation in CBA mouse spleenocytes by MLR assay
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[PMID: 32120325] |
| T-cell | IC50 |
50 nM
Compound: 48
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Inhibition of IL-2 stimulated human T cell proliferation
Inhibition of IL-2 stimulated human T cell proliferation
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[PMID: 32120325] |
Decernotinib (VX-509) is a potent JAK3 inhibitor, with Kis of 2.5, 11, 13 and 11 nM for JAK3, JAK1, JAK2, and TYK2, respectively. Decernotinib potently blocks T-cell proliferation with a mean IC50 of 170 ± 101 nM, and inhibits IL-2-stimulated T-cell proliferation (IC50, 140 and 400 nM). VX-509 is also cytotoxic to B-cell in response to CD40L and IL-4 (IC50, 50 nM)[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
| NCT Number | Sponsor | Condition | Start Date |
Phase
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|---|---|---|---|---|
| NCT01329991 | Plexxikon| | 2011-05 | PHASE1 |
Chemical Information
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CAS No. 944842-54-0
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Appearance Solid
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Masse moléculaire 392.38
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Formule C18H19F3N6O
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Color White to off-white
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SMILES
C[C@](C(NCC(F)(F)F)=O)(CC)NC1=NC(C2=CNC3=NC=CC=C32)=NC=C1
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Synonyms
VX-509; VRT-831509
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Livraison
Room temperature in continental US; may vary elsewhere.
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Stockage
4°C, protect from light, stored under nitrogen
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen)
Publications (4)
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Journal Impact Factor
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Most Recent
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Science
2017 Dec 1;358(6367):eaan4368. PMID: 29191878 -
Biochem Pharmacol
Dual inhibition of EGR1/STAT3 transcriptional hubs suppresses macrophage-driven liver fibrosis: A multi-omics-guided drug repurposing strategy. [Abstract]2025 Oct:240:117120. PMID: 40623460 -
J Nat Prod
Discovering the Mechanisms of Wikstroelide E as a Potential HIV-Latency-Reversing Agent by Transcriptome Profiling. [Abstract]2021 Apr 23;84(4):1022-1033. PMID: 33721994 -
Biochem Biophys Rep
2020 Oct 15:24:100832. PMID: 33102814
Solvant et solubilité
DMSO : ≥ 50 mg/mL (127.43 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
* "≥" means soluble, but saturation unknown.
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, stored under nitrogen). 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 (protect from light, stored under nitrogen). 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)
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 (6.37 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 (6.37 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.
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. * In solvent : -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen)
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.
Protocole
The effect of Decernotinib on JAK3 activity is assessed by measuring the residual kinase activity of the recombinantly expressed JAK3 kinase domain using a radiometric assay. The final concentrations of the components in the assay are as follows: 100 mM HEPES (pH 7.5), 10 mM MgCl2, 1 mM dithiothreitol (DTT), 0.01% BSA, 0.25 nM JAK3, 0.25 mg/mL polyE4Y, and 5 μM 33P-γ-ATP (200 µCi/µmol). A 10 mM stock solution of Decernotinib is prepared in DMSO, from which additional dilutions are prepared. A substrate mixture (100 mM HEPES, 10 mM MgCl2, 0.5 mg/mL polyE4Y, and 10 μM 33P-γ-ATP) is added and mixed with Decernotinib stock solution. The reaction is initiated by the addition of an enzyme mixture [100 mM HEPES (pH 7.5), 10 mM MgCl2, 2 mM DTT, 0.02% BSA, 0.5 nM JAK3]. After 15 minutes, the reaction is quenched with 20% trichloroacetic acid (TCA). The quenched reaction is transferred to the GF/B filter plates and washed three times with 5% TCA. Following the addition of Ultimate Gold scintillant (50 μL), the samples are counted in a Packard TopCount gamma counter. In this procedure, the radioactivity trapped is a measure of the residual JAK3 kinase activity. From the activity versus concentration of Decernotinib titration curve, the Ki value is determined by fitting the data to an equation for competitive tight binding inhibition kinetics[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Whole-blood samples from healthy volunteers are used to collect peripheral blood mononuclear cells, which are plated in T75 tissue culture flasks at a density of 1 × 106/mL. Cells are stimulated with 10 μg/mL phytohemagglutinin at 37°C for 72 hours. After 72 hours, cells are detached from the flask by scraping, washed, and plated at a density of 1 × 105/well in a 96-well plate. Decernotinib (9.7 nM to 10 μM) is added, and plates are incubated for 30 minutes at 37°C, followed by stimulation with human IL-2. In two rows, only DMSO is added; one row is not stimulated with IL-2, and one row is stimulated with IL-2 to serve as the proliferation control. Plates are incubated at 37°C for 2 days. On day 2, cells are pulsed with 20 µCi/mL methyl-[3H]thymidine for 18-24 hours and harvested onto filters for radiographic determination. Data are analyzed to generate an IC50 value using Softmax pro software[1]
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Rat[1]
The collagen-induced arthritis (CIA) rat model is used to evaluate the effects of oral Decernotinib [10 mg/kg b.i.d., 25 mg/kg b.i.d., 50 mg/kg b.i.d., 50 mg/kg q.d., or 100 mg/kg q.d.] on joint inflammation and histopathology. Female Lewis rats (157-187 g) are anesthetized with isoflurane and injected with 300 µL Freund’s incomplete adjuvant, containing 2 mg/mL bovine type II collagen, at the base of the tail and two sites on the back on days 0 and 6. The rats are randomized to study groups at the onset of paw swelling (arthritis), which occurs between days 10 and 11. Dosing of either Decernotinib or vehicle via oral gavage is initiated on the first day of established arthritis and continued to day 6 of arthritis. Dosing volume is 5 mL/kg. Groups are controls (no collagen injection plus vehicle; n = 4), collagen plus vehicle (n = 5), collagen plus Decernotinib 10 mg/kg b.i.d. (n = 8); collagen plus Decernotinib 10 mg/kg b.i.d. (n = 8); collagen plus (n = 8); collagen plus (n = 8); collagen plus (n = 8); collagen plu (n = 8); and collagen plus (n = 8); collagen plu (n = 8); all treatments are administered for 6 days. An additional group of rats is given collagen plus 10 mg/kg subcutaneous etanercept, a human tumor necrosis factor-α antagonist, on study days 11 and 14. Caliper measurements of normal (baseline) ankle joints begin on day 9 and continue through the last day of study. Differences in mean ankle diameter are tested for significance using Student’s t test, with significance set at P ≤ 0.05. The rats are euthanized on day 7 of arthritis, which is study day 17 or 18 depending on when animals are randomized to groups; paws and knees are harvested to determine paw weight and to conduct a histopathological analysis of inflammation (knee and ankle), pannus formation (ankle), cartilage destruction (knee), and bone resorption (knee and ankle). Scores range from 0 (normal) to 5 (severe pathology) and are assigned by a veterinary pathologist. Percent inhibition is calculated using the following formula: [(mean of treatment group) − (mean of control)] ÷ [(mean of collagen + vehicle) − (mean of control)]. Kruskal-Wallis one-way analysis of variance nonparametric tests are used to determine statistical significance among the histopathology groups, with significance set at P ≤ 0.05[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Pureté et documentation
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Fiche technique (282 KB)
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SDS (393 KB)
- English - EN (393 KB)
- Français - FR (393 KB)
- Deutsch - DE (393 KB)
- Norwegian - NO (393 KB)
- Español - ES (393 KB)
- Swedish - SV (393 KB)
- Italian - IT (393 KB)
- Korean - KR (393 KB)
- Portuguese - PT (393 KB)
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Instruction de manipulation (2659 KB)
Références
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 (protect from light, stored under nitrogen). 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 | 2.5485 mL | 12.7427 mL | 25.4855 mL | 63.7137 mL |
| 5 mM | 0.5097 mL | 2.5485 mL | 5.0971 mL | 12.7427 mL | |
| 10 mM | 0.2549 mL | 1.2743 mL | 2.5485 mL | 6.3714 mL | |
| 15 mM | 0.1699 mL | 0.8495 mL | 1.6990 mL | 4.2476 mL | |
| 20 mM | 0.1274 mL | 0.6371 mL | 1.2743 mL | 3.1857 mL | |
| 25 mM | 0.1019 mL | 0.5097 mL | 1.0194 mL | 2.5485 mL | |
| 30 mM | 0.0850 mL | 0.4248 mL | 0.8495 mL | 2.1238 mL | |
| 40 mM | 0.0637 mL | 0.3186 mL | 0.6371 mL | 1.5928 mL | |
| 50 mM | 0.0510 mL | 0.2549 mL | 0.5097 mL | 1.2743 mL | |
| 60 mM | 0.0425 mL | 0.2124 mL | 0.4248 mL | 1.0619 mL | |
| 80 mM | 0.0319 mL | 0.1593 mL | 0.3186 mL | 0.7964 mL | |
| 100 mM | 0.0255 mL | 0.1274 mL | 0.2549 mL | 0.6371 mL |
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