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| 5mg |
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| 10mg |
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| Targets |
KDM2B 0.021 μM (IC50)
KDM2B-IN-2 targets KDM2B (also known as FBXL10 or JHDM1B), a histone demethylase that specifically removes methyl groups from histone H3 at lysine 36 (H3K36me2). KDM2B plays a critical role in epigenetic regulation, gene expression, and cell proliferation. By inhibiting KDM2B, the compound modulates histone methylation patterns, affecting gene expression and cellular processes involved in hyperproliferative diseases. |
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| ln Vitro |
KDM2B-IN-2 demonstrates potent in vitro inhibition of KDM2B with an IC50 of 0.021 μM (21 nM) in a TR-FRET assay. It is a selective small-molecule inhibitor targeting KDM2B. The compound's potent activity makes it a valuable tool for studying the role of KDM2B in epigenetic regulation and hyperproliferative diseases.
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| ln Vivo |
In vivo activity of KDM2B-IN-2 has not been extensively documented. Its potent in vitro inhibition of KDM2B suggests potential for in vivo efficacy in models of hyperproliferative diseases. Further in vivo studies are needed to evaluate its pharmacokinetic properties, efficacy, and safety profile.
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| Enzyme Assay |
In vitro enzyme assays for KDM2B-IN-2 involve measuring its inhibition of KDM2B demethylase activity using a TR-FRET (time-resolved fluorescence resonance energy transfer) assay. The assay typically uses a biotinylated histone peptide substrate containing methylated H3K36 and detects the demethylation product using specific antibodies. IC50 values are determined from dose-response curves generated in these enzymatic assays.
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| Cell Assay |
In vitro cellular assays for KDM2B-IN-2 involve treating cells with varying concentrations of the compound and measuring changes in histone methylation levels using Western blotting or mass spectrometry. Cell proliferation is assessed using MTT or other viability assays. The compound's effects on gene expression can be evaluated by RNA sequencing or qPCR.
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| Animal Protocol |
In vivo animal experiments for KDM2B-IN-2 are not extensively documented. If used in animal models of hyperproliferative diseases, typical protocols would involve administering the compound to tumor-bearing mice and evaluating efficacy by measuring tumor growth inhibition and biomarker changes such as histone methylation levels. Further studies are needed to characterize its in vivo activity.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for KDM2B-IN-2 are limited. The compound has a molecular weight of 430.59 and a molecular formula of C21H26N4O2S2. Powder should be stored at -20°C for up to 3 years and at 4°C for up to 2 years; solutions at -80°C for up to 6 months and at -20°C for up to 1 month. Its ADME properties have not been fully characterized.
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| Toxicity/Toxicokinetics |
Toxicological data for KDM2B-IN-2 are limited. As a research compound, comprehensive toxicological studies have not been reported. The compound is intended for research use only and is not for human therapeutic application. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
KDM2B-IN-2 (CAS#: 1965248-01-4) has the molecular formula C21H26N4O2S2 and a molecular weight of 430.59. It is a potent KDM2B inhibitor with an IC50 of 0.021 μM. The compound is used in research on hyperproliferative diseases and epigenetic regulation. It is for research use only.
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| Molecular Formula |
C21H26N4O2S2
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|---|---|
| Molecular Weight |
430.59
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| Exact Mass |
430.149
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| CAS # |
1965248-01-4
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| PubChem CID |
121477864
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| Appearance |
White to light brown solid powder
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| LogP |
2.6
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
29
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| Complexity |
703
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N1(C2CCC2)CCN(C2N(S(C3=CC=C(C4C=CSC=4)C=C3)(=O)=O)CCN=2)CC1
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| InChi Key |
NTRYCGVFIAACFO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H26N4O2S2/c26-29(27,20-6-4-17(5-7-20)18-8-15-28-16-18)25-10-9-22-21(25)24-13-11-23(12-14-24)19-2-1-3-19/h4-8,15-16,19H,1-3,9-14H2
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| Chemical Name |
1-cyclobutyl-4-[1-(4-thiophen-3-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
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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 : 31.25 mg/mL (72.57 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3224 mL | 11.6120 mL | 23.2239 mL | |
| 5 mM | 0.4645 mL | 2.3224 mL | 4.6448 mL | |
| 10 mM | 0.2322 mL | 1.1612 mL | 2.3224 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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