MC-VC-PABC-amide-PEG1-CH2-CC-885

• CAT Number: I045130
• CAS Number: 2722697-82-5
• Molecular Formula: C55H68ClN11O13
• Molecular Weight: 1126.65
• Purity: ≥95%
• Synonyms: [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[2-[2-chloro-4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylcarbamoylamino]phenyl]ethoxy]ethyl]-N-methylcarbamate
• InChI: InChI=1S/C55H68ClN11O13/c1-33(2)48(63-44(68)9-5-4-6-24-66-46(70)20-21-47(66)71)51(74)62-42(8-7-23-58-53(57)76)49(72)60-38-14-10-34(11-15-38)32-80-55(78)65(3)25-27-79-26-22-36-13-16-39(29-41(36)56)61-54(77)59-30-35-12-17-40-37(28-35)31-67(52(40)75)43-18-19-45(69)64-50(43)73/h10-17,20-21,28-29,33,42-43,48H,4-9,18-19,22-27,30-32H2,1-3H3,(H,60,72)(H,62,74)(H,63,68)(H3,57,58,76)(H2,59,61,77)(H,64,69,73)/t42-,43?,48-/m0/s1
• InChIKey: SXHFPZWNOWBAQL-MPGWLFTNSA-N
• SMILES: CC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)COC(=O)N(C)CCOCCC2=C(C=C(C=C2)NC(=O)NCC3=CC4=C(C=C3)C(=O)N(C4)C5CCC(=O)NC5=O)Cl)NC(=O)CCCCCN6C(=O)C=CC6=O

MC-VC-PABC-amide-PEG1-CH2-CC-885 is a neodegrader[1].

Reference

[1]. FISHKIN N, et, al. Neodegrader conjugates. WO2021198965A1.