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| Targets |
EHMT2-IN-2 targets EHMT1 and EHMT2 (also known as G9a), histone methyltransferases that catalyze the methylation of histone H3 at lysine 9 (H3K9). H3K9 methylation is associated with transcriptional repression and heterochromatin formation. By inhibiting EHMT1 and EHMT2 with IC₅0 values below 100 nM, the compound modulates gene silencing and epigenetic regulation.
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| ln Vitro |
Strong EHMT inhibitor EHMT2-IN-2 (Compound 200) has IC50s < 100 nM for cellular EHMT2, EHMT2 peptide, and EEHMT1 peptide [1].
In vitro, EHMT2-IN-2 is a potent EHMT inhibitor with IC₅0 values of all <100 nM for EHMT1 peptide, EHMT2 peptide, and cellular EHMT2. Its high potency makes it a valuable tool for studying the biological roles of EHMT1/2 in gene silencing, hematologic disorders, and cancer. The compound is suitable for exploring therapeutic strategies targeting histone methyltransferases in epigenetic and oncogenic research. |
| ln Vivo |
In vivo studies of EHMT2-IN-2 are focused on evaluating its efficacy in animal models of blood disorders and cancer. By inhibiting EHMT1/2 and modulating H3K9 methylation, the compound may affect gene expression programs involved in hematopoiesis and tumorigenesis. Further in vivo studies are needed to fully characterize its efficacy, safety, and pharmacokinetic profile.
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| Enzyme Assay |
For in vitro enzyme assays, EHMT2-IN-2 is evaluated using methyltransferase activity assays that measure EHMT1 and EHMT2-mediated methylation of histone H3. The compound is incubated with recombinant EHMT1 or EHMT2 enzyme, S-adenosylmethionine (SAM), and peptide substrates at various concentrations. Enzyme activity is quantified by measuring the incorporation of methyl groups into the substrate using radiometric, fluorescence-based, or ELISA methods. IC₅0 values are determined from dose-response curves.
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| Cell Assay |
For in vitro cellular experiments, EHMT2-IN-2 is tested in cell lines to evaluate its effects on histone methylation and gene expression. Cells are cultured in appropriate media and treated with various concentrations of the compound. Histone H3K9 methylation levels are assessed by Western blotting or mass spectrometry. Gene expression changes are analyzed by qPCR or RNA sequencing. Cell viability, proliferation, and differentiation are assessed using standard assays.
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| Animal Protocol |
For in vivo animal experiments, EHMT2-IN-2 can be administered to animals via various routes including oral gavage, intravenous injection, or intraperitoneal injection. The compound's efficacy can be evaluated in models of blood disorders or cancer. Typical dosing regimens may range from 1 to 50 mg/kg. Pharmacodynamic markers such as H3K9 methylation levels are measured in tissues. Disease progression and physiological parameters are assessed.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of EHMT2-IN-2 are not extensively detailed in the public literature. As a small molecule with a molecular weight of 374.44, it may have reasonable oral bioavailability and tissue distribution. Detailed parameters such as Cₘₐₓ, Tₘₐₓ, AUC, half-life, and clearance would need to be determined through comprehensive PK studies. The compound's metabolism and excretion pathways remain to be fully characterized.
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| Toxicity/Toxicokinetics |
Toxicological data for EHMT2-IN-2 are limited, as it is primarily a research tool. As an EHMT inhibitor, its toxicity would depend on the importance of EHMT1/2-mediated H3K9 methylation for normal gene regulation and cellular function. Comprehensive toxicology studies including acute and repeated-dose toxicity, genotoxicity, and cardiotoxicity assessments would be needed for further development. Appropriate safety precautions should be taken when handling this compound.
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| References | |
| Additional Infomation |
EHMT2-IN-2 is a research compound used to study EHMT biology and epigenetic regulation. No clinical trials or regulatory approvals have been reported for this compound as a therapeutic agent. It is available from various chemical suppliers for research purposes only. The compound is a potent EHMT inhibitor used in the study of blood disorders and cancer.
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| Molecular Formula |
C21H22N6O
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| Molecular Weight |
374.438983440399
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| Exact Mass |
374.185
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| CAS # |
2230850-47-0
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| PubChem CID |
135154251
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| Appearance |
White to yellow solid powder
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| LogP |
3.9
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
28
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| Complexity |
507
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C)C1C=CC(=CC=1C1=C(C)C2C=CN=CC=2N1)NC1N=C(C=C(C)N=1)NC
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| InChi Key |
AZRYONWATLLNFX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H22N6O/c1-12-9-19(22-3)27-21(24-12)25-14-5-6-18(28-4)16(10-14)20-13(2)15-7-8-23-11-17(15)26-20/h5-11,26H,1-4H3,(H2,22,24,25,27)
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| Chemical Name |
2-N-[4-methoxy-3-(3-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
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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 : ~50 mg/mL (~133.53 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 | 2.6707 mL | 13.3533 mL | 26.7065 mL | |
| 5 mM | 0.5341 mL | 2.6707 mL | 5.3413 mL | |
| 10 mM | 0.2671 mL | 1.3353 mL | 2.6707 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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