DNMT3A-IN-1
Based on 2 publication(s) in Google Scholar
DNMT3A-IN-1 (compound 1) is an effective and selective DNMT3A inhibitor. DNMT3A-IN-1 exhibits inhibitory activity against DNMT3A, with KI values ranging from 9.16 to 18.85 μM (AdoMet) and 11.37 to 23.34 μM (poly dI-dC). DNMT3A-IN-1 can induce apoptosis in acute myeloid leukemia (AML) cell lines (Apoptosis).
For research use only. We do not sell to patients.
- Purity: 99.94%
- CAS No.: 1403598-56-0
- Formula: C30H38N6O4
- Molecular Weight:546.66
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Storage:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Purity & Documentation
- References
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Help & FAQs
Publications Citing Use of MedChemExpress (MCE) DNMT3A-IN-1
MoreAll DNA Methyltransferase Isoforms
More
Biological Activity
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DNMT3A |
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Cell Line
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Type | Value | Description | References |
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| HeLa | IC50 |
>25 μM
Compound: 25; MMV690028
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Cytotoxicity against human HeLa cells assessed as reduction in cell viability after 48 hrs by resazurin dye based fluorescence assay
Cytotoxicity against human HeLa cells assessed as reduction in cell viability after 48 hrs by resazurin dye based fluorescence assay
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[PMID: 30647879] |
| MRC5 | CC50 |
>64 μM
Compound: 20b, VUF13525
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Cytotoxicity against human MRC5 cells after 72 hrs by resazurin assay
Cytotoxicity against human MRC5 cells after 72 hrs by resazurin assay
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[PMID: 22963052] |
DNMT3A-IN-1 (6 µM and 60 µM, 30 minutes) effectively inhibits the methylation activity of recombinant DNMT3A protein[1]. DNMT3A-IN-1 (5–12 μM, 72 hours) significantly induces apoptosis in acute myeloid leukemia (AML) cell lines[2].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:MV411, MOLM13, THP-1, OCI-AML3, KASUMI, HL60 cells
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Concentration:5–12 μM
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Incubation Time:72 h
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Result:Significantly induced apoptosis and upregulated CD11b differentiation marker at 5–12 μM concentrations in AML cells.
Chemical Information
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CAS No. 1403598-56-0
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Appearance Solid
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Molecular Weight 546.66
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Formula C30H38N6O4
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Color White to off-white
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SMILES
O=C1N(C2CCCCCC2)N=C(C1(C)C)C3=CC(OCCCCOC4=CC=C(C5=NN=NN5)C=C4)=C(OC)C=C3
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Publications (2)
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Journal Impact Factor
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Most Recent
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Cell Rep Med
2026 Mar 17;7(3):102687. PMID: 41850232 -
bioRxiv
DNA polymerase theta-mediated DNA repair is a functional dependency and therapeutic vulnerability in DNMT3A deficient leukemia cells. [Abstract]2024 Sep 19:2024.09.15.613155. PMID: 39411165
Solvent & Solubility
DMSO : 100 mg/mL (182.93 mM; ultrasonic and warming and heat to 60°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Select the appropriate dissolution method based on your experimental animal and administration route.
- For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
- To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
- The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.5 mg/mL (4.57 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (4.57 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%Saline +
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Working solution concentration: 0.22 mg/mL
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL.
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Purity & Documentation
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Data Sheet (272 KB)
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SDS (251 KB)
- English - EN (251 KB)
- Français - FR (251 KB)
- Deutsch - DE (251 KB)
- Norwegian - NO (251 KB)
- Español - ES (251 KB)
- Swedish - SV (251 KB)
- Italian - IT (251 KB)
- Korean - KR (251 KB)
- Portuguese - PT (251 KB)
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Handling Instructions (2659 KB)
References
[1]. Huang S, et al. A novel class of selective non-nucleoside inhibitors of human DNA methyltransferase 3A. Bioorg Med Chem Lett. 2021; 40:127908. [Content Brief]
[2]. Sandoval JE, Ramabadran R, Stillson N, et al. First-in-Class Allosteric Inhibitors of DNMT3A Disrupt Protein-Protein Interactions and Induce Acute Myeloid Leukemia Cell Differentiation. J Med Chem. 2022;65(15):10554-10566. [Content Brief]
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 1.8293 mL | 9.1465 mL | 18.2929 mL | 45.7323 mL |
| 5 mM | 0.3659 mL | 1.8293 mL | 3.6586 mL | 9.1465 mL | |
| 10 mM | 0.1829 mL | 0.9146 mL | 1.8293 mL | 4.5732 mL | |
| 15 mM | 0.1220 mL | 0.6098 mL | 1.2195 mL | 3.0488 mL | |
| 20 mM | 0.0915 mL | 0.4573 mL | 0.9146 mL | 2.2866 mL | |
| 25 mM | 0.0732 mL | 0.3659 mL | 0.7317 mL | 1.8293 mL | |
| 30 mM | 0.0610 mL | 0.3049 mL | 0.6098 mL | 1.5244 mL | |
| 40 mM | 0.0457 mL | 0.2287 mL | 0.4573 mL | 1.1433 mL | |
| 50 mM | 0.0366 mL | 0.1829 mL | 0.3659 mL | 0.9146 mL | |
| 60 mM | 0.0305 mL | 0.1524 mL | 0.3049 mL | 0.7622 mL | |
| 80 mM | 0.0229 mL | 0.1143 mL | 0.2287 mL | 0.5717 mL | |
| 100 mM | 0.0183 mL | 0.0915 mL | 0.1829 mL | 0.4573 mL |
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