| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| 250mg |
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| Other Sizes |
| Targets |
KDM5A, KDM5B, and KDM5C (lysine-specific demethylases). These enzymes are histone demethylases that remove methyl groups from histone H3 lysine 4 (H3K4), thereby regulating gene expression.
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| ln Vitro |
KDM5B and KDM5C isoforms were shown to be potently inhibited by KDM5-IN-1 (IC50 values of 4.7 and 65.5 nM, respectively). Its impact on other KDM enzymes (1A, 2B, 3B, 4C, 5A, 6A, and 7B) is noticeably weaker. With an IC50 of 1.9 μM, it exhibits the largest inhibitory effect on KDM4C. Even so, KDM5-IN-1's selectivity for KDM4C is still more than 100 times greater than KDM5A's [1].
KDM5-IN-48 inhibits KDM5A, KDM5B, and KDM5C with IC50 values of 15.1, 4.7, and 65.5 nM, respectively. It has improved cell potency (PC9 H3K4Me3 EC50 = 0.34 µM). It is selective for KDM5 over other demethylases. |
| ln Vivo |
KDM5-IN-1 demonstrated an unbound maximum plasma concentration Cmax >15 times its cellular EC50 when given orally to mice at a dose of 50 mg/kg twice daily, offering a strong platform for researching the in vivo biological functions of KDM5. chemical investigation tools[1].
KDM5-IN-48 has been evaluated in mice. When administered orally at 50 mg/kg twice daily (BID), it demonstrates excellent pharmacokinetic properties. Specific efficacy data in disease models are not provided in the available literature. |
| Enzyme Assay |
The in vitro enzyme inhibition assay for KDM5-IN-48 involves measuring the activity of KDM5 enzymes in the presence of varying concentrations of the compound. The enzyme is incubated with a histone H3 peptide substrate, and the demethylation reaction is quantified. The IC50 value is determined from the dose-response curve.
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| Cell Assay |
Specific in vitro cell-based assay protocols for KDM5-IN-48 are not detailed. Its cellular activity can be assessed by measuring the increase in H3K4me3 levels in treated cells using Western blotting or ELISA. This is a measure of KDM5 inhibition in a cellular context.
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| Animal Protocol |
KDM5-IN-48 has been evaluated in mice. The compound is administered orally at 50 mg/kg twice daily (BID). Blood and tissue samples are collected to assess pharmacokinetic parameters. Efficacy studies in disease models are not described.
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| ADME/Pharmacokinetics |
KDM5-IN-48 exhibits excellent pharmacokinetic properties in mice when administered orally at 50 mg/kg twice daily (BID). Specific PK parameters such as half-life, Cmax, and AUC are not provided in the available literature.
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| Toxicity/Toxicokinetics |
Specific toxicological data for KDM5-IN-48 are not available. As a research compound, its safety profile has not been comprehensively characterized. Toxicity studies would be required to determine its safety margin.
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| References | |
| Additional Infomation |
KDM5-IN-48 is a research tool for studying the role of KDM5 enzymes in gene regulation and cancer. Its oral bioavailability and excellent PK properties make it a valuable compound for in vivo studies. It is not an approved therapeutic agent.
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| Molecular Formula |
C17H20N6O
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|---|---|
| Molecular Weight |
324.3803
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| Exact Mass |
324.169
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| CAS # |
1628210-26-3
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| PubChem CID |
118908379
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
527.0±60.0 °C at 760 mmHg
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| Flash Point |
272.5±32.9 °C
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| Vapour Pressure |
0.0±1.4 mmHg at 25°C
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| Index of Refraction |
1.659
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| LogP |
1.64
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
24
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| Complexity |
715
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C)C1=C(N=C2C(=CNN2C1=O)C#N)C3=CN(N=C3)C(C)(C)C
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| InChi Key |
KRXWJZIHQRIGSJ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H20N6O/c1-10(2)13-14(12-8-19-22(9-12)17(3,4)5)21-15-11(6-18)7-20-23(15)16(13)24/h7-10,21H,1-5H3
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| Chemical Name |
5-[1-(1,1-Dimethylethyl)-1H-pyrazol-4-yl]-4,7-dihydro-6-(1-methylethyl)-7-oxo-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
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| Synonyms |
KDM5-IN-48 KDM5 IN 48 KDM5IN48 KDM5 inhibitor-48 KDM5 inhibitor 48
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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 : ≥ 30 mg/mL (~92.48 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.71 mM) (saturation unknown) in 5% DMSO + 40% PEG300 + 5% Tween80 + 50% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (6.41 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 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL 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. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (6.41 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. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.0828 mL | 15.4140 mL | 30.8280 mL | |
| 5 mM | 0.6166 mL | 3.0828 mL | 6.1656 mL | |
| 10 mM | 0.3083 mL | 1.5414 mL | 3.0828 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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