Dimethyl-F-OICR-9429-COOH

• CAT Number: I045240
• CAS Number: 2407458-49-3
• Molecular Formula: C27H26F4N4O4
• Molecular Weight: 546.51
• Purity: ≥95%
• Synonyms: 4-fluoro-3-[3-[[6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]benzoic acid
• InChI: InChI=1S/C27H26F4N4O4/c1-14-12-35(13-15(2)34(14)3)23-7-5-16(18-8-17(26(38)39)4-6-21(18)28)9-22(23)33-25(37)19-11-32-24(36)10-20(19)27(29,30)31/h4-11,14-15H,12-13H2,1-3H3,(H,32,36)(H,33,37)(H,38,39)/t14-,15+
• InChIKey: NLHFYALGJZKULH-GASCZTMLSA-N
• SMILES: CC1CN(CC(N1C)C)C2=C(C=C(C=C2)C3=C(C=CC(=C3)C(=O)O)F)NC(=O)C4=CNC(=O)C=C4C(F)(F)F

Dimethyl-F-OICR-9429-COOH a ligand for WD40 repeat domain protein 5 (WDR5) extracted from patent WO2019246570A1 intermediate 19. Dimethyl-F-OICR-9429-COOH can be used in the synthesis of PROTACs[1].
PROTACs contain two different ligands connected by a linker; one is a ligand for an E3 ubiquitin ligase and the other is for the target protein. PROTACs exploit the intracellular ubiquitin-proteasome system to selectively degrade target proteins[1].

Reference

[1]. Jin J, et, al. Wd40 repeat domain protein 5 (wdr5) degradation/disruption compounds and methods of use. WO2019246570A1.