MIR96-IN-1

• CAT Number: I001196
• CAS Number: 1311982-88-3
• Molecular Formula: C33H48N8O2
• Molecular Weight: 588.79
• Purity: ≥95%
• Target: microRNA-96
• Solubility: 10 mM in DMSO
• Storage: Store at -20°C
• IUPAC Name: N-(3-azidopropyl)-4-[2,6-ditert-butyl-4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]butanamide
• InChI: InChI=1S/C33H48N8O2/c1-32(2,3)25-20-23(31-37-27-12-11-24(22-28(27)38-31)41-17-15-40(7)16-18-41)21-26(33(4,5)6)30(25)43-19-8-10-29(42)35-13-9-14-36-39-34/h11-12,20-22H,8-10,13-19H2,1-7H3,(H,35,42)(H,37,38)
• InChIKey: LTPQCIXFOJELHJ-UHFFFAOYSA-N
• SMILES: CC(C)(C)C1=CC(=CC(=C1OCCCC(=O)NCCCN=[N+]=[N-])C(C)(C)C)C2=NC3=C(N2)C=C(C=C3)N4CCN(CC4)C

MIR96-IN-1（Cat No.:I001196）is a selective inhibitor targeting the methyltransferase SETD8, which is responsible for monomethylating histone H4 at lysine 20 (H4K20me1). By inhibiting SETD8, MIR96-IN-1 disrupts the epigenetic regulation of gene expression, potentially leading to the reactivation of silenced tumor suppressor genes. This compound has shown promise in preclinical studies, particularly in cancer models where aberrant SETD8 activity contributes to tumorigenesis. MIR96-IN-1’s ability to modulate histone methylation provides valuable insights into developing targeted therapeutic strategies aimed at addressing epigenetic alterations in various cancers.

Reference

[1]. Velagapudi SP, et al. Sequence-based design of bioactive small molecules that target precursor microRNAs. Nat Chem Biol. 2014 Apr;10(4):291-7.
[2]. Haga CL, et al. Small Molecule Inhibition of miR-544 Biogenesis Disrupts Adaptive Responses to Hypoxia by Modulating ATM-mTOR Signaling. ACS Chem Biol. 2015 Oct 16;10(10):2267-76.
[3]. Velagapudi SP, et al. Defining the RNA internal loops preferred by benzimidazole derivatives via 2D combinatorial screening and computational analysis. J Am Chem Soc. 2011 Jul 6;133(26):10111-8.