1403598-56-0
Chemical Structure
DNMT3A-IN-1
- CAS No.: 1403598-56-0
- Formula:C30H38N6O4
- Molecular Weight:546.66
IUPAC Name: 5-(3-(4-(4-(1H-tetrazol-5-yl)phenoxy)butoxy)-4-methoxyphenyl)-2-cycloheptyl-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one
InChIKey: JPXAIORZGBCHIB-UHFFFAOYSA-N
SMILES: O=C1N(C2CCCCCC2)N=C(C1(C)C)C3=CC(OCCCCOC4=CC=C(C5=NN=NN5)C=C4)=C(OC)C=C3
Biological Activity: 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].
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DNMT3A-IN-1 | 99.94% | 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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- [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]
Keywords
