dFKBP-1

• CAT Number: I017263
• CAS Number: 1799711-22-0
• Molecular Formula: C₅₃H₆₄N₆O₁₄
• Molecular Weight: 1009.11
• Purity: ≥95%
• Target: Immunology/Inflammation
• IUPAC Name: [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[4-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butylamino]-4-oxobutanoyl]amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
• InChI: InChI=1S/C53H64N6O14/c1-6-53(2,3)47(64)51(68)58-28-10-7-16-37(58)52(69)73-38(21-18-32-19-22-39(70-4)41(29-32)71-5)33-13-11-14-34(30-33)56-43(61)25-24-42(60)54-26-8-9-27-55-45(63)31-72-40-17-12-15-35-46(40)50(67)59(49(35)66)36-20-23-44(62)57-48(36)65/h11-15,17,19,22,29-30,36-38H,6-10,16,18,20-21,23-28,31H2,1-5H3,(H,54,60)(H,55,63)(H,56,61)(H,57,62,65)/t36?,37-,38+/m0/s1
• InChIKey: RIBCWKRMNKOGRN-GGJINPDOSA-N
• SMILES: CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCC2=CC(=C(C=C2)OC)OC)C3=CC(=CC=C3)NC(=O)CCC(=O)NCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O

dFKBP-1 is a potent and innovative PROTAC-based degrader designed specifically to target FKBP12. It incorporates three key components: the ligand SLF (HY-114872) for FKBP12, the Thalidomide-based cereblon ligand, and a linker molecule. This engineered structure enables dFKBP-1 to selectively bind to FKBP12 and recruit the E3 ubiquitin ligase cereblon, resulting in the ubiquitination and subsequent degradation of FKBP12. This PROTAC-based approach offers a promising strategy for targeted protein degradation and holds potential for therapeutic applications in various diseases where FKBP12 is implicated.

Reference

[1]. Winter GE, et al. DRUG DEVELOPMENT. Phthalimide conjugation as a strategy for in vivo target protein degradation. Science. 2015 Jun 19;348(6241):1376-81.