DNMT3A-IN-1

• CAT Number: I043888
• CAS Number: 1403598-56-0
• Molecular Formula: C30H38N6O4
• Molecular Weight: 546.66
• Purity: ≥95%
• Synonyms: 2-cycloheptyl-5-[4-methoxy-3-[4-[4-(2H-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4,4-dimethylpyrazol-3-one
• InChI: InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35)
• InChIKey: JPXAIORZGBCHIB-UHFFFAOYSA-N
• SMILES: CC1(C(=NN(C1=O)C2CCCCCC2)C3=CC(=C(C=C3)OC)OCCCCOC4=CC=C(C=C4)C5=NNN=N5)C

DNMT3A-IN-1 is a potent and selective DNMT3A inhibitor. DNMT3A-IN-1 shows inhibitor activities against DNMT3A with kI values range from 9.16-18.85 μM (AdoMet) and 11.37-23.34 μM (poly dI-dC) [1].

Reference

[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.
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