1. Epigenetics
  2. DNA Methyltransferase
  3. DNMT3A-IN-1

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).

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DNMT3A-IN-1 Chemical Structure

DNMT3A-IN-1 Chemical Structure

CAS No. : 1403598-56-0

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5 mg USD 750 In-stock
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Based on 1 publication(s) in Google Scholar

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Description

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)[1][2].

IC50 & Target

DNMT3A

 

Cellular Effect
Cell Line Type Value Description References
HeLa IC50
> 25 μM
Compound: 25; MMV690028
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
[PMID: 30647879]
MRC5 CC50
> 64 μM
Compound: 20b, VUF13525
Cytotoxicity against human MRC5 cells after 72 hrs by resazurin assay
Cytotoxicity against human MRC5 cells after 72 hrs by resazurin assay
[PMID: 22963052]
In Vitro

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.

Apoptosis Analysis[2]

Cell Line: MV411, MOLM13, THP-1, OCI-AML3, KASUMI, HL60 cells
Concentration: 5–12 μM
Incubation Time: 72 h
Result: Significantly induced apoptosis and upregulated CD11b differentiation marker at 5–12 μM concentrations in AML cells.
Molecular Weight

546.66

Formula

C30H38N6O4

CAS No.
Appearance

Solid

Color

White to off-white

SMILES

O=C1N(C2CCCCCC2)N=C(C1(C)C)C3=CC(OCCCCOC4=CC=C(C5=NN=NN5)C=C4)=C(OC)C=C3

Shipping

Room temperature in continental US; may vary elsewhere.

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 (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)

Preparing
Stock Solutions
Concentration Solvent Mass 1 mg 5 mg 10 mg
1 mM 1.8293 mL 9.1465 mL 18.2929 mL
5 mM 0.3659 mL 1.8293 mL 3.6586 mL
View the 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.

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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This equation is commonly abbreviated as: C1V1 = C2V2

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In Vivo Dissolution Calculator
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Working solution concentration: mg/mL
Purity & Documentation
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 1.8293 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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DNMT3A-IN-1 Related Classifications

Help & FAQs
  • Do most proteins show cross-species activity?

    Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

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