| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg | |||
| Other Sizes |
| Targets |
JAK-IN-3 targets Janus kinases (JAKs), a family of non-receptor tyrosine kinases that play critical roles in cytokine signaling and immune regulation. The compound inhibits JAK3, JAK1, TYK2, and JAK2 with IC50 values of 3 nM, 5 nM, 34 nM, and 70 nM, respectively. JAK3 is primarily expressed in hematopoietic cells and is involved in signaling through the common gamma chain of cytokine receptors, including IL-2, IL-4, IL-7, IL-9, IL-15, and IL-21. JAK1 and JAK2 are more ubiquitously expressed. By inhibiting JAK kinases, JAK-IN-3 blocks JAK-STAT signaling, reducing the production of pro-inflammatory cytokines.
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| ln Vitro |
JAK-IN-3 demonstrates potent in vitro activity as a JAK inhibitor. The compound inhibits JAK3, JAK1, TYK2, and JAK2 with IC50 values of 3 nM, 5 nM, 34 nM, and 70 nM, respectively. It has a strong preference for JAK3 and JAK1. Its activity is concentration-dependent, with potent inhibition observed at nanomolar concentrations. JAK-IN-3 has immunomodulatory (anti-inflammatory and anti-RA) activity. Its potency and selectivity for JAK kinases make it a valuable tool for studying JAK-STAT signaling and evaluating JAK inhibition as a therapeutic strategy for inflammatory and autoimmune diseases.
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| ln Vivo |
In vivo, JAK-IN-3 has been studied for its potential in inflammatory and autoimmune diseases. As a potent JAK inhibitor with immunomodulatory activity, the compound would be expected to reduce inflammation and autoimmunity. JAK inhibitors have been studied in various animal models of rheumatoid arthritis, psoriasis, and other inflammatory diseases. JAK-IN-3's in vivo activity has been described in research publications. The compound's anti-inflammatory and anti-RA activity supports its potential for research on immune system diseases. Comprehensive in vivo efficacy data are available from research publications.
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| Enzyme Assay |
In vitro kinase assays for JAK-IN-3 involve measuring the inhibition of JAK kinase activity. Recombinant JAK1, JAK2, JAK3, and TYK2 kinases are incubated with varying concentrations of the test compound, ATP, and a peptide substrate. The transfer of the phosphate group from ATP to the substrate is quantified using radioactive [33P]-ATP or by detecting phosphorylated peptide using a luminescent method such as the ADP-Glo assay. IC50 values are calculated by plotting percent inhibition against compound concentration using non-linear regression analysis. The compound has IC50 values of 3 nM for JAK3, 5 nM for JAK1, 34 nM for TYK2, and 70 nM for JAK2. Selectivity assays compare the compound's activity against a panel of other kinases. Each concentration is typically tested in duplicate or triplicate.
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| Cell Assay |
In vitro cellular assays for JAK-IN-3 are performed using immune cells or cell lines. Cells are stimulated with cytokines that activate JAK-STAT signaling (e.g., IL-2, IL-6, IFN-gamma) and treated with varying concentrations of the compound. STAT phosphorylation is assessed by Western blot or phospho-flow cytometry using phospho-specific STAT antibodies. Cytokine production is measured by ELISA or multiplex bead-based assays. Cell proliferation is measured using [3H]-thymidine incorporation or CFSE dilution. Cytotoxicity is assessed in parallel using standard viability assays such as MTT to ensure that observed effects are not due to cell death. IC50 values for inhibition of STAT phosphorylation or cytokine production are calculated from dose-response curves.
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| Animal Protocol |
In vivo animal studies for JAK-IN-3 are conducted using rodent models of inflammatory and autoimmune diseases, such as collagen-induced arthritis (CIA) or experimental autoimmune encephalomyelitis (EAE). The compound is administered via oral gavage or intraperitoneal injection at various doses and schedules. Disease severity is assessed by clinical scoring, histopathology, and measurement of inflammatory markers. Cytokine levels are measured in serum and tissues. Pharmacokinetic studies assess drug concentrations in plasma and tissues. Animals are monitored for clinical signs and body weight. Efficacy is expressed as reduction in disease severity compared to vehicle-treated controls.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of JAK-IN-3 have been characterized in preclinical studies. The compound has a molecular formula of C18H20N4O3 and a molecular weight of 340.38 g/mol. Its chemical name is 4-(((2R,3R)-1,3-dihydroxybutan-2-yl)amino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide. Comprehensive pharmacokinetic parameters including half-life, volume of distribution, clearance, and oral bioavailability have been characterized in animal models. The compound's pharmacokinetic profile supports its use in preclinical studies of inflammatory and autoimmune diseases. Detailed pharmacokinetic data are available from research publications.
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| Toxicity/Toxicokinetics |
JAK-IN-3 is intended for laboratory research use only and has not undergone comprehensive clinical toxicology testing. As a potent JAK inhibitor that modulates immune function, the compound would be expected to have immunosuppressive effects and could potentially increase the risk of infections. Standard in vitro cytotoxicity assays in cell lines are typically performed alongside efficacy studies to rule out nonspecific toxicity. In vivo, animals are monitored for signs of toxicity including body weight changes, behavioral abnormalities, and clinical observations. Comprehensive toxicological characterization including genotoxicity and repeated-dose toxicity studies has been conducted as part of preclinical development. The compound is not approved for human use and is strictly intended for research purposes.
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| References | |
| Additional Infomation |
JAK-IN-3 (compound 22) is a potent JAK inhibitor with IC50 values of 3 nM (JAK3), 5 nM (JAK1), 34 nM (TYK2), and 70 nM (JAK2). It has strong preference for JAK3 and JAK1. JAK-IN-3 has immunomodulatory (anti-inflammatory and anti-RA) activity. The compound has a molecular formula of C18H20N4O3 and a molecular weight of 340.38 g/mol. JAK-IN-3 has not entered clinical trials and has not received regulatory approval for any indication. It is available from research chemical suppliers for non-clinical research purposes only.
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| Molecular Formula |
C18H20N4O3
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| Molecular Weight |
340.38
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| Exact Mass |
340.153
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| CAS # |
1400876-94-9
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| PubChem CID |
68291755
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| Appearance |
Light brown to brown solid powder
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| LogP |
1.2
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
25
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| Complexity |
458
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| Defined Atom Stereocenter Count |
2
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| SMILES |
[C@H](NC1C2N(C=C(C3=CC=CC=C3)C=2)N=CC=1C(N)=O)([C@H](O)C)CO
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| InChi Key |
PRWQQLFMBINSAW-IAQYHMDHSA-N
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| InChi Code |
InChI=1S/C18H20N4O3/c1-11(24)15(10-23)21-17-14(18(19)25)8-20-22-9-13(7-16(17)22)12-5-3-2-4-6-12/h2-9,11,15,21,23-24H,10H2,1H3,(H2,19,25)/t11-,15-/m1/s1
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| Chemical Name |
4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~62.5 mg/mL (~183.62 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.11 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9379 mL | 14.6895 mL | 29.3789 mL | |
| 5 mM | 0.5876 mL | 2.9379 mL | 5.8758 mL | |
| 10 mM | 0.2938 mL | 1.4689 mL | 2.9379 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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