HDAC/JAK/BRD4-IN-1

• CAT Number: I040563
• CAS Number: 2755325-84-7
• Molecular Formula: C24H28N6O3
• Molecular Weight: 448.52
• Purity: ≥95%
• Synonyms: N-hydroxy-4-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzamide
• InChI: InChI=1S/C24H28N6O3/c1-17-16-25-24(28-22(17)26-19-6-4-18(5-7-19)23(31)29-32)27-20-8-10-21(11-9-20)33-15-14-30-12-2-3-13-30/h4-11,16,32H,2-3,12-15H2,1H3,(H,29,31)(H2,25,26,27,28)
• InChIKey: JUIHREVFVXLZPR-UHFFFAOYSA-N
• SMILES: CC1=CN=C(N=C1NC2=CC=C(C=C2)C(=O)NO)NC3=CC=C(C=C3)OCCN4CCCC4

HDAC/JAK/BRD4-IN-1(compound 25ap) is a potent HDAC/JAK/BRD4 triple inhibitor. HDAC/JAK/BRD4-IN-1 inhibit cell growth and induces apoptosis in MDA-MB-231 cells, and shows anticancer activity in vivo[1].

Reference

[1]. Zhao C, et al. Discovery of Novel Fedratinib-Based HDAC/JAK/BRD4 Triple Inhibitors with Remarkable Antitumor Activity against Triple Negative Breast Cancer [published online ahead of print, 2023 Oct 5]. J Med Chem. 2023;10.1021/acs.jmedchem.3c01242.
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