Jumonji HDM Inhibitor, JIB-04

• CAT Number: I002530
• CAS Number: 199596-05-9
• Molecular Formula: C₁₇H₁₃ClN₄
• Molecular Weight: 308.76
• Purity: ≥95%
• Target: Jumonji Histone Demethylase
• Solubility: DMSO: ≤ 22.5 mg/mL
• Storage: 2-8°C
• IC50: 230 nM (for JARID1A); 340 nM (for JMJD2E); 855 nM (for JMJD3) 445 nM (for JMJD2A); 435 nM (for JMJD2B); 1100 nM (for JMJD2C); 290 nM (for JMJD2D)
• IUPAC Name: 5-chloro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine
• InChI: InChI=1S/C17H13ClN4/c18-14-9-10-16(20-12-14)21-22-17(13-6-2-1-3-7-13)15-8-4-5-11-19-15/h1-12H,(H,20,21)/b22-17+
• InChIKey: YHHFKWKMXWRVTJ-OQKWZONESA-N
• SMILES: C1=CC=C(C=C1)C(=NNC2=NC=C(C=C2)Cl)C3=CC=CC=N3

JIB-04 (Cat No.:I002530) is a potent and selective inhibitor of Jumonji histone demethylases, which are enzymes involved in the removal of methyl groups from histone proteins. JIB-04 exhibits broad-spectrum activity against various Jumonji demethylase subtypes, including JARID1A, JMJD2E, JMJD3, JMJD2A, JMJD2B, JMJD2C, and JMJD2D. With IC50 values ranging from 230nM to 855nM in cell-free assays, JIB-04 effectively inhibits the demethylase activity of these enzymes. Additionally, JIB-04 has been shown to induce apoptosis, making it a promising compound for studying histone modifications and potential therapeutic applications in cancer and other diseases.

Reference

1:Chem Commun (Camb). 2017 Feb 9;53(13):2174-2177. doi: 10.1039/c6cc09882g. The small molecule JIB-04 disrupts O2 binding in the Fe-dependent histone demethylase KDM4A/JMJD2A.Cascella B,Lee SG,Singh S,Jez JM,Mirica LM, PMID: 28144654 DOI: 10.1039/c6cc09882g Abstract: JIB-04, a specific inhibitor of the O2-activating, Fe-dependent histone lysine demethylases, is revealed to disrupt the binding of O2 in KDM4A/JMJD2A through a continuous O2-consumption assay, X-ray crystal structure data, and molecular docking.