IACS-9571 hydrochloride

• CAT Number: I020498
• CAS Number: 2319611-93-1
• Molecular Formula: C32H43ClN4O8S
• Molecular Weight: 679.22
• Purity: ≥95%
• Synonyms: N-[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
• InChI: InChI=1S/C32H42N4O8S.ClH/c1-8-14-42-22-16-23(43-15-10-9-13-34(2)3)18-24(17-22)44-30-21-28-27(35(4)32(37)36(28)5)20-26(30)33-45(38,39)25-11-12-29(40-6)31(19-25)41-7;/h11-12,16-21,33H,8-10,13-15H2,1-7H3;1H
• InChIKey: MOYQIQKWUIYJMN-UHFFFAOYSA-N
• SMILES: CCCOC1=CC(=CC(=C1)OC2=CC3=C(C=C2NS(=O)(=O)C4=CC(=C(C=C4)OC)OC)N(C(=O)N3C)C)OCCCCN(C)C.Cl

IACS-9571 (ASIS-P040) hydrochloride is a potent and selective inhibitor of TRIM24 and BRPF1, with an IC50 of 8 nM for TRIM24, and Kds of 31 nM and 14 nM for TRIM24 and BRPF1, respectively[1].
IACS-9571 Hydrochloride shows excellent cellular potency with EC50 of 50 nM. IACS-9571 Hydrochloride (1 μM) has potent activities against a panel of 32 bromodomains. IACS-9571 Hydrochloride is a selective dual TRIM24/BRPF1 inhibitor (Kd=1.3/2.1 nM) with 9- and 21-fold selectivity against BRPF2 and BRPF3, respectively. IACS-9571 Hydrochloride does not interact with the BET sub-family of bromodomains, displaying greater than 7700-fold selectivity versus BRD4 (1, 2) relative to TRIM24[1].

Reference

[1]. Palmer WS, et al. Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor. J Med Chem. 2016 Feb 25;59(4):1440-54.
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