| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| 25mg |
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| 100mg | |||
| 250mg | |||
| Other Sizes |
| Targets |
Histone lysine demethylase 4D (KDM4D) (IC50 = 0.32 μM); KDM4C (IC50 = 5.2 μM); KDM4A, KDM4B (IC50 > 10 μM); KDM6A, KDM6B [1]
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|---|---|
| ln Vitro |
The most potent one is KDM4D-IN-1 (Compound 10r), which has an IC50 value of 0.41±0.03 μM against KDM4D. KDM4D-IN-1 demonstrates good wiring of KDM4D against other selected KDMs, as evidenced by its low activity against KDM2B, KDM3B, and KDM5A (IC50>10 μM) [1].
Treatment of HeLa cells with KDM4D-IN-1 (10 μM) for 24 hours significantly increased H3K9me3 levels, as determined by Western blot. No notable changes were observed in H3K9me2, H3K9me1, or total histone H3 levels [1] |
| Enzyme Assay |
The inhibitory activity of KDM4D-IN-1 against KDM4D was measured using a FRET-based assay. Recombinant KDM4D enzyme was incubated with a fluorescently labeled histone peptide substrate, along with α-ketoglutarate, Fe²⁺, and ascorbate. Various concentrations of the compound were added to the reaction system, which was then incubated at 37°C for 1 hour. Fluorescence signals were detected to assess enzyme activity, and the IC50 value was calculated from the dose-response inhibition curve [1]
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| Cell Assay |
HeLa cells were seeded in 6-well plates and cultured overnight. KDM4D-IN-1 was dissolved in DMSO and added to the cell culture medium at a final concentration of 10 μM (DMSO content ≤ 0.1%). Cells were incubated at 37°C in a 5% CO₂ environment for 24 hours. After incubation, cells were collected and total proteins were extracted. Western blot analysis was conducted using specific antibodies against H3K9me3, H3K9me2, H3K9me1, and total H3 to detect alterations in histone methylation levels [1]
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| References | |
| Additional Infomation |
KDM4D-IN-1 belongs to the pyrazolo[1,5-a]pyrimidine-3-nitrile derivative family and is a newly developed KDM4D inhibitor. Compared with other KDM isoforms, it has selective inhibitory activity against KDM4D and extremely low activity against KDM4A, KDM4B, KDM6A, and KDM6B. This compound is expected to become a potential tool for studying the biological functions of KDM4D and its role in chromatin regulation [1].
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| Molecular Formula |
C11H7N5O
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|---|---|
| Molecular Weight |
225.206180810928
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| Exact Mass |
225.065
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| CAS # |
2098902-68-0
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| PubChem CID |
137174251
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| Appearance |
Light yellow to khaki solid powder
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| LogP |
0.5
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
17
|
| Complexity |
389
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C1C2C=CC=NC=2N2C(=C(C#N)C(C)=N2)N1
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| InChi Key |
FIRSAIIBSBCBTF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H7N5O/c1-6-8(5-12)10-14-11(17)7-3-2-4-13-9(7)16(10)15-6/h2-4H,1H3,(H,14,17)
|
| Chemical Name |
4-methyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carbonitrile
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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 : ~7.14 mg/mL (~31.70 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 0.71 mg/mL (3.15 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 7.1 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. Solubility in Formulation 2: ≥ 0.71 mg/mL (3.15 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 7.1 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 | 4.4403 mL | 22.2015 mL | 44.4030 mL | |
| 5 mM | 0.8881 mL | 4.4403 mL | 8.8806 mL | |
| 10 mM | 0.4440 mL | 2.2202 mL | 4.4403 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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