PROTAC EGFR degrader 2

• CAT Number: I044055
• CAS Number: 3031336-58-7
• Molecular Formula: C58H72ClFN12O8S
• Molecular Weight: 1151.78
• Purity: ≥95%
• Synonyms: (2S,4R)-1-[(2S)-2-[[2-[2-[2-[4-[5-[4-(3-chloro-4-fluoroanilino)-6-[[(E)-4-piperidin-1-ylbut-2-enoyl]amino]quinazolin-7-yl]oxypentyl]triazol-1-yl]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
• InChI: InChI=1S/C58H72ClFN12O8S/c1-38-53(81-37-64-38)40-16-14-39(15-17-40)32-61-56(76)49-29-43(73)34-72(49)57(77)54(58(2,3)4)67-52(75)35-79-27-26-78-25-23-71-33-42(68-69-71)12-7-5-10-24-80-50-31-47-44(55(63-36-62-47)65-41-18-19-46(60)45(59)28-41)30-48(50)66-51(74)13-11-22-70-20-8-6-9-21-70/h11,13-19,28,30-31,33,36-37,43,49,54,73H,5-10,12,20-27,29,32,34-35H2,1-4H3,(H,61,76)(H,66,74)(H,67,75)(H,62,63,65)/b13-11+/t43-,49+,54-/m1/s1
• InChIKey: PXQHEFZTJMGFAP-QLJGRUAOSA-N
• SMILES: CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)COCCOCCN4C=C(N=N4)CCCCCOC5=C(C=C6C(=C5)N=CN=C6NC7=CC(=C(C=C7)F)Cl)NC(=O)C=CCN8CCCCC8)O

PROTAC EGFR degrader 2 is a potent PROTAC EGFR degrader. PROTAC EGFR degrader 2 exhibits excellent antiproliferative activity with IC50 of 4.0 nM and good EGFR degradation activity with DC50 of 36.51 nM. PROTAC EGFR degrader 2 can be used for the synthesis of nitroreductase (NTR)-responsive PROTAC[1].

Reference

[1]. Shi S, et al. Rational Design for Nitroreductase (NTR)-Responsive Proteolysis Targeting Chimeras (PROTACs) Selectively Targeting Tumor Tissues. J Med Chem. 2022;65(6):5057-5071.
 [Content Brief]