ACBI1

• CAT Number: I018653
• CAS Number: 2375564-55-7
• Molecular Formula: C₄₉H₅₈FN₉O₇S
• Molecular Weight: 936.1
• Purity: ≥95%
• IUPAC Name: (2S,4R)-N-[[2-[2-[4-[[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
• InChI: InChI=1S/C49H58FN9O7S/c1-30-42(67-29-53-30)32-11-12-33(26-52-45(62)39-24-34(60)28-59(39)46(63)43(48(2,3)4)54-47(64)49(50)15-16-49)41(23-32)66-22-21-65-35-13-9-31(10-14-35)27-57-17-19-58(20-18-57)38-25-37(55-56-44(38)51)36-7-5-6-8-40(36)61/h5-14,23,25,29,34,39,43,60-61H,15-22,24,26-28H2,1-4H3,(H2,51,56)(H,52,62)(H,54,64)/t34-,39+,43-/m1/s1
• InChIKey: IVARZBJJMMUJHI-SQKKEFIPSA-N
• SMILES: CC1=C(SC=N1)C2=CC(=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C4(CC4)F)O)OCCOC5=CC=C(C=C5)CN6CCN(CC6)C7=CC(=NN=C7N)C8=CC=CC=C8O

ACBI1 (Cat No.: I018653) is an effective PROTAC-based degrader of BAFATPase subunits SMARCA2 and SMARCA4, and also a degrader of PBAF member PBRM1. The DC50 values for SMARCA2, SMARCA4 and PBRM1 are 6nM and 11nM, respectively and 32nM. ACBI1, composed of a bromodomain ligand, linker, and E3 ubiquitin ligase VHL, induces antiproliferative effects and apoptosis.

Reference

[1]. Farnaby W, et al. BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design. Nat Chem Biol. 2019 Jul;15(7):672-680.