| Size | Price | Stock | Qty |
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| Targets |
KDM5
JQKD82 targets the KDM5 family of histone demethylases, which includes KDM5A (JARID1A). These enzymes remove methyl groups from histone H3 at lysine 4 (H3K4me3), a mark associated with active transcription. By inhibiting KDM5 activity, JQKD82 increases H3K4me3 levels, leading to changes in gene expression. It is a prodrug form of KDM5-C49, an inhibitor of KDM5A. |
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| ln Vitro |
In MM.1S cells, JQKD82 trihydrochloride (0.3 μM; 24 hours) trihydrochloride raises total H3K4me3 levels [1]. In MM.1S cells, JQKD82 trihydrochloride (0.1-10 μM; days 1-5) suppresses cell proliferation in a dose- and time-dependent way. The proliferation of MM.1S cells can be successfully inhibited by JQKD82 trihydrochloride (IC50=0.42 μM)[1]. For 48 hours, JQKD82 trihydrochloride (1 μM; 24 hours) causes G1 cell cycle arrest in MM.1S and MOLP-8 cells [1].
In vitro, JQKD82 (0.3 μM; 24 hours) acts as a selective KDM5 inhibitor. It is cell-permeable, allowing it to enter cells and inhibit intracellular KDM5 activity. By inhibiting KDM5, it increases the levels of H3K4me3, a histone mark associated with active gene transcription. These in vitro activities support its use in studying epigenetic regulation and cancer biology. |
| ln Vivo |
JQKD82 trihydrochloride (intranasal injection; 50–75 mg/kg; twice day for three weeks) Trihydrochloride exhibits anti-multiple myeloma properties. [1]. In vivo, JQKD82 trihydrochloride causes a notable reduction in MYC immunostaining and increases H3K4me3 levels [1].
In vivo data for JQKD82 is not extensively reported in publicly available sources. As a selective KDM5 inhibitor that increases H3K4me3 levels, the compound has potential applications in animal models of multiple myeloma and other cancers where KDM5 plays a role. However, specific published in vivo efficacy studies are not detailed in the current literature. JQKD82 is primarily used as a research tool for studying epigenetic regulation and cancer. |
| Enzyme Assay |
The in vitro KDM5 inhibition assay for JQKD82 uses recombinant KDM5 enzymes and a histone peptide substrate. Demethylase activity is measured using fluorescence-based or mass spectrometry-based detection methods, and IC50 values are calculated from dose-response curves. Selectivity profiling against other histone demethylases is performed to confirm specificity. Cellular assays assess the increase in H3K4me3 levels by Western blotting.
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| Cell Assay |
Cellular assays for JQKD82 are conducted in cancer cell lines, including multiple myeloma cells. Cells are treated with JQKD82 at concentrations such as 0.3 μM for 24 hours. H3K4me3 levels are measured by Western blotting using specific antibodies. Cell proliferation and viability are measured using standard assays such as MTT or CellTiter-Glo. Gene expression changes are analyzed by qPCR or RNA sequencing.
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| Animal Protocol |
Animal/Disease Models: Sixweeks old female NOD.Cg-Prkdcscid Il2rgtm1Wjl/SzJ (NSG) mice (bearing MOLP-8 TurboGFP-Luc cells)[1]
Doses: 50 mg/kg, 75 mg/kg Route of Administration: ip; twice a day for 3 weeks Experimental Results: Dramatically diminished tumor burden. In vivo studies for JQKD82 would typically involve xenograft mouse models of multiple myeloma or other cancers. The compound would be administered via oral or intraperitoneal routes at doses determined by pharmacokinetic studies. Efficacy would be assessed by measuring tumor growth inhibition, with pharmacodynamic markers such as H3K4me3 levels evaluated in tumor tissues. However, specific published in vivo protocols for JQKD82 are not available. |
| ADME/Pharmacokinetics |
Pharmacokinetic data for JQKD82 trihydrochloride is not extensively reported in publicly available sources. The compound has a molecular weight of 610.01 g/mol and a molecular formula of C27H43Cl3N4O5. As a prodrug, it is converted to the active KDM5-C49 inhibitor. Detailed PK parameters such as half-life and bioavailability are not available in the current literature for this research compound.
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| Toxicity/Toxicokinetics |
Toxicity data for JQKD82 trihydrochloride is limited in publicly available sources. As with all research compounds, JQKD82 is intended for research use only and not for human therapeutic applications. Standard in vitro cytotoxicity assays and in vivo tolerability studies would be required for a complete toxicity assessment. The compound's mechanism of increasing H3K4me3 suggests potential epigenetic effects that would need to be evaluated.
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| References | |
| Additional Infomation |
JQKD82 trihydrochloride (CAS 2863676-87-1) is a cell-permeable and selective KDM5 inhibitor that increases H3K4me3 levels. It is a prodrug form of KDM5-C49, an inhibitor of JARID1A/KDM5A. JQKD82 is used in research for multiple myeloma and other cancers. It has a molecular formula of C27H43Cl3N4O5 and a molecular weight of 610.01 g/mol. JQKD82 is a valuable research tool for studying epigenetic regulation and cancer biology.
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| Molecular Formula |
C27H43CL3N4O5
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| Molecular Weight |
610.013124704361
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| Exact Mass |
608.229
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| CAS # |
2863676-87-1
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| Related CAS # |
JQKD82;2410512-38-6
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| PubChem CID |
164516808
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| Appearance |
White to light yellow solid powder
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
15
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| Heavy Atom Count |
39
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| Complexity |
660
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
VSTHCFWHQMJPDZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C27H40N4O5.3ClH/c1-8-31(14-13-30(6)7)26(32)18-28-17-22-15-21(11-12-29-22)27(33)36-24-10-9-23(34-19(2)3)16-25(24)35-20(4)5;;;/h9-12,15-16,19-20,28H,8,13-14,17-18H2,1-7H3;3*1H
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| Chemical Name |
[2,4-di(propan-2-yloxy)phenyl] 2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxylate;trihydrochloride
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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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 : 50 mg/mL (81.97 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1 mg/mL (1.64 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% 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 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 1 mg/mL (1.64 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 10.0 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. View More
Solubility in Formulation 3: ≥ 1 mg/mL (1.64 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.6393 mL | 8.1966 mL | 16.3932 mL | |
| 5 mM | 0.3279 mL | 1.6393 mL | 3.2786 mL | |
| 10 mM | 0.1639 mL | 0.8197 mL | 1.6393 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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