NJH-2-056

• CAT Number: I043627
• CAS Number: 2858812-69-6
• Molecular Formula: C41H40F2N6O8
• Molecular Weight: 782.79
• Purity: ≥95%
• Synonyms: 3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methylpyridin-2-yl]-N-[3-[3-[5-(2-oxo-4-prop-2-enoylpiperazin-1-yl)furan-2-yl]propanoylamino]propyl]benzamide
• InChI: InChI=1S/C41H40F2N6O8/c1-3-34(51)48-20-21-49(35(52)24-48)36-15-11-29(55-36)10-14-33(50)44-18-5-19-45-38(53)27-7-4-6-26(22-27)37-25(2)8-13-32(46-37)47-39(54)40(16-17-40)28-9-12-30-31(23-28)57-41(42,43)56-30/h3-4,6-9,11-13,15,22-23H,1,5,10,14,16-21,24H2,2H3,(H,44,50)(H,45,53)(H,46,47,54)
• InChIKey: SXPTYNZPHCBSCJ-UHFFFAOYSA-N
• SMILES: CC1=C(N=C(C=C1)NC(=O)C2(CC2)C3=CC4=C(C=C3)OC(O4)(F)F)C5=CC(=CC=C5)C(=O)NCCCNC(=O)CCC6=CC=C(O6)N7CCN(CC7=O)C(=O)C=C

NJH-2-056 is a deubiquitinase-targeting chimera (DUBTAC) linking the OTUB1 recruiter EN523 to the CFTR chaperone lumacaftor. NJH-2-056 can be used for cystic fibrosis research[1].

Reference

[1]. Henning NJ, et al. Deubiquitinase-targeting chimeras for targeted protein stabilization. Nat Chem Biol. 2022 Apr;18(4):412-421.
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