For research use only. Not for therapeutic Use.
Mal-amide-PEG8-Val-Ala-PAB-PNP(Cat No.:I042478)is a prodrug designed for targeted drug delivery and cancer therapy. It features a maleimide (Mal) group for conjugation with targeting molecules, an amide linkage, and a polyethylene glycol (PEG8) spacer to enhance solubility and stability. The peptide linker, Val-Ala, is cleavable by specific enzymes, while the para-aminobenzyl (PAB) group facilitates activation. The para-nitrophenyl (PNP) moiety acts as a leaving group upon enzymatic cleavage, releasing the active drug. This structure improves selective drug delivery to tumor sites, reducing systemic toxicity and enhancing therapeutic efficacy.
CAS Number | 2210247-59-7 |
Synonyms | [4-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate |
Molecular Formula | C48H68N6O19 |
Purity | ≥95% |
IUPAC Name | [4-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate |
InChI | InChI=1S/C48H68N6O19/c1-35(2)45(47(60)50-36(3)46(59)51-38-6-4-37(5-7-38)34-72-48(61)73-40-10-8-39(9-11-40)54(62)63)52-42(56)15-18-64-20-22-66-24-26-68-28-30-70-32-33-71-31-29-69-27-25-67-23-21-65-19-16-49-41(55)14-17-53-43(57)12-13-44(53)58/h4-13,35-36,45H,14-34H2,1-3H3,(H,49,55)(H,50,60)(H,51,59)(H,52,56)/t36-,45-/m0/s1 |
InChIKey | XKNFUEHAHZGFPB-PXQFAMQDSA-N |
SMILES | C[C@@H](C(=O)NC1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)[C@H](C(C)C)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN3C(=O)C=CC3=O |
Reference | [1]. Junutula JR, et, al. Preparation of isoquinolidinobenzodiazepines and antibody conjugates thereof for treatment of hematological malignancies and solid tumors. WO2018053552 |