Snail/HDAC-IN-1

• CAT Number: I043893
• CAS Number: 2415281-52-4
• Molecular Formula: C24H21FN8OS
• Molecular Weight: 488.54
• Purity: ≥95%
• Synonyms: N-(2-amino-4-fluorophenyl)-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanylmethyl]benzamide
• InChI: InChI=1S/C24H21FN8OS/c1-14-11-21(31-30-14)28-22-20-3-2-10-33(20)32-24(29-22)35-13-15-4-6-16(7-5-15)23(34)27-19-9-8-17(25)12-18(19)26/h2-12H,13,26H2,1H3,(H,27,34)(H2,28,29,30,31,32)
• InChIKey: FWJQLBLNLGDLIU-UHFFFAOYSA-N
• SMILES: CC1=CC(=NN1)NC2=NC(=NN3C2=CC=C3)SCC4=CC=C(C=C4)C(=O)NC5=C(C=C(C=C5)F)N

Snail/HDAC-IN-1 is a potent Snail/HDAC dual target inhibitor. Snail/HDAC-IN-1 displays potent inhibitory activity against HDAC1 with an IC50 of 0.405 μM and potent inhibition against Snail with a Kd of 0.18 μM. Snail/HDAC-IN-1 increases histone H4 acetylation in HCT-116 cells and decreases the expression of Snail protein to induce cell apoptosis[1].
Snail/HDAC-IN-1 (compound 9n) shows antiproliferative activity in HCT-116 cell lines with an IC50 of 0.0751 μM. Snail/HDAC-IN-1 shows a good inhibitory effect on NCI–H522 (GI50=0.0488 μM), MDA-MB-435 (GI50=0.0361 μM), and MCF7 (GI50=0.0518 μM)[1].

Reference

[1]. Cui H, et al. Design and synthesis of dual inhibitors targeting snail and histone deacetylase for the treatment of solid tumour cancer. Eur J Med Chem. 2022;229:114082.
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