DNMT1/HDAC-IN-1
Based on 1 Customer Validation
DNMT1/HDAC-IN-1 is a dual DNMT1/HDAC inhibitor with IC50 values of 0.32 μM and 0.06 μM, respectively. DNMT1/HDAC-IN-1 inhibits DNA methyltransferase activity, promotes proteasome-dependent degradation of DNMT1, and inhibits HDAC catalytic activity. DNMT1/HDAC-IN-1 reactivates epigenetically silenced tumor suppressor genes, downregulates oncogene expression, and induces cell cycle arrest and apoptosis. DNMT1/HDAC-IN-1 can be used for research on acute myeloid leukemia and colorectal cancer.
For research use only. We do not sell to patients.
- Purity : 99.45%
- CAS No.: 3104460-09-2
- Formula: C33H35N7O3S
- Molecular Weight:609.74
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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
- Protocols
- Purity & Documentation
- References
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Help & FAQs
All DNA Methyltransferase Isoforms
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Biological Activity
Description
IC50 & Target
[1]|
DNMT1 0.32 μM (IC50) |
HDAC 0.06 μM (IC50) |
HDAC1 0.05 μM (IC50) |
HDAC2 0.27 μM (IC50) |
HDAC3 0.09 μM (IC50) |
HDAC4 3.73 μM (IC50) |
HDAC5 6.30 μM (IC50) |
HDAC7 14.20 μM (IC50) |
HDAC8 0.24 μM (IC50) |
HDAC9 40.71 μM (IC50) |
HDAC11 11.71 μM (IC50) |
Cellular Effect
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| HL-60 | IC50 |
0.36 μM
Compound: (R)-23a
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Inhibition of cell viability in human HL-60 cells incubated for 4 days by CCK8 assay
Inhibition of cell viability in human HL-60 cells incubated for 4 days by CCK8 assay
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[PMID: 39264152] |
| Kasumi 1 | IC50 |
0.41 μM
Compound: (R)-23a
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Inhibition of cell viability in human Kasumi 1 cells incubated for 4 days by CCK8 assay
Inhibition of cell viability in human Kasumi 1 cells incubated for 4 days by CCK8 assay
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[PMID: 39264152] |
| MV4-11 | IC50 |
0.32 μM
Compound: (R)-23a
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Inhibition of cell viability in human MV4-11 cells incubated for 4 days by CCK8 assay
Inhibition of cell viability in human MV4-11 cells incubated for 4 days by CCK8 assay
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[PMID: 39264152] |
In Vitro
DNMT1/HDAC-IN-1 (200 nM) reverses cancer-associated transcriptional dysregulation in MV-4-11 cells and recapitulates the phenotype of dual DNMT1/HDAC inhibition[1].
DNMT1/HDAC-IN-1 (96 h) preferentially reduces AML cell viability (IC50 0.32-0.41 μM) relative to normal HSPCs (IC50 2.13 μM)[1].
DNMT1/HDAC-IN-1 selectively inhibits class I HDACs, with the strongest potency against HDAC1 (IC50 = 0.05 μM)[1].
DNMT1/HDAC-IN-1 (0.001-100 μM) dose-dependently inhibits DNMT1 enzyme activity in an in vitro recombinant protein DNMT1 enzyme activity assay, with an IC50 of 0.32 μM[1].
DNMT1/HDAC-IN-1 (72 h) inhibits DNMT1 in MT1hypo-SFRP1-Luc cells and reactivates the SFRP1 reporter gene with an EC50 of 0.75 μM[1].
DNMT1/HDAC-IN-1 (300 nM; 3 days) reverses ABT1 promoter DNA hypermethylation in MV-4-11 cells[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:MV-4-11 cells
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Concentration:10 μM
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Incubation Time:12 h
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Result:Suppressed the protein expression level of DNMT1.
Increased the acetylation level of histone H3.
In Vivo
DNMT1/HDAC-IN-1 (30 mg/kg; intraperitoneal injection; once daily; 13 or 15 days) inhibits MC38 tumor growth in C57BL/6J mice and immunodeficient BALB/c nude mice[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:BALB/c nude (6 weeks old)[1]
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Dosage:30 mg/kg
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Administration:i.p.; once daily; for 27 days
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Result:Tumor growth inhibition (TGI) was 98%.
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Animal Model:C57BL/6J or BALB/c nude mice[1]
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Dosage:30 mg/kg
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Administration:i.p.; once daily; 13 or 15 days
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Result:Exhibited 45% tumor growth inhibition in MC38 tumors in immunodeficient BALB/c nude mice.
Reduced the MC38 tumor burden by 92% and induced near-complete tumor regression in 2 out of 5 C57BL/6J mice.
Chemical Information
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CAS No. 3104460-09-2
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Appearance Solid
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Molecular Weight 609.74
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Formula C33H35N7O3S
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Color White to off-white
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SMILES
CCC1=C(C(S[C@H](C2=CC=CC=C2)C(N)=O)=NC(N3CCC(CC3)CNCC4=CC=C(C=C4)/C=C/C(NO)=O)=C1C#N)C#N
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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
Solvent & Solubility
In Vitro:
DMSO : 100 mg/mL (164.00 mM; Need ultrasonic; 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)
In Vivo:
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 (4.10 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.
In Vivo Dissolution Calculator
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 (278 KB)
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SDS (252 KB)
- English - EN (252 KB)
- Français - FR (252 KB)
- Deutsch - DE (252 KB)
- Norwegian - NO (252 KB)
- Español - ES (252 KB)
- Swedish - SV (252 KB)
- Italian - IT (252 KB)
- Korean - KR (252 KB)
- Portuguese - PT (252 KB)
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Handling Instructions (2659 KB)
References
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 | 1.6400 mL | 8.2002 mL | 16.4004 mL | 41.0011 mL |
| 5 mM | 0.3280 mL | 1.6400 mL | 3.2801 mL | 8.2002 mL | |
| 10 mM | 0.1640 mL | 0.8200 mL | 1.6400 mL | 4.1001 mL | |
| 15 mM | 0.1093 mL | 0.5467 mL | 1.0934 mL | 2.7334 mL | |
| 20 mM | 0.0820 mL | 0.4100 mL | 0.8200 mL | 2.0501 mL | |
| 25 mM | 0.0656 mL | 0.3280 mL | 0.6560 mL | 1.6400 mL | |
| 30 mM | 0.0547 mL | 0.2733 mL | 0.5467 mL | 1.3667 mL | |
| 40 mM | 0.0410 mL | 0.2050 mL | 0.4100 mL | 1.0250 mL | |
| 50 mM | 0.0328 mL | 0.1640 mL | 0.3280 mL | 0.8200 mL | |
| 60 mM | 0.0273 mL | 0.1367 mL | 0.2733 mL | 0.6834 mL | |
| 80 mM | 0.0205 mL | 0.1025 mL | 0.2050 mL | 0.5125 mL | |
| 100 mM | 0.0164 mL | 0.0820 mL | 0.1640 mL | 0.4100 mL |
DNMT1/HDAC-IN-1 Related Classifications
HY-168088 Related Classifications
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Keywords
- DNMT1/HDAC-IN-1
- 3104460-09-2
- DNA Methyltransferase
- HDAC
- DNMTs
- DNA MTases
- Histone deacetylases
- DNA methyltransferase
- DNMT1
- M1 macrophage polarization
- acute myeloid leukemia
- antitumor immunity
- histone acetylation
- proteasome-dependent degradation
- tumor suppressor genes
- tumor-infiltrating lymphocytes
- Inhibitor
- inhibitor
- inhibit