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Chemical structure of Mal-PEG4-VA-PBD

GC64801

Mal-PEG4-VA-PBD

Also known as (2S)-N-[(2S)-1-[4-[(6aS)-3-[3-[[(6aS)-2-methoxy-8-(4-methoxyphenyl)-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]anilino]-1-oxopropan-2-yl]-2-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanamide

Mal-PEG4-VA-PBD is a drug-linker conjugate for ADC by using the antitumor antibiotic, Pyrrolobenzodiazepine (PBD), linked via Mal-PEG4-VA

ChemicalCAS1342820-68-1MW1294.4FormulaC68H79N9O17
CAS number
1342820-68-1
Molecular weight
1294.4
Formula
C68H79N9O17
InChIKey
NYVRJRVPDLPKGD-DEVGTKRQSA-N
Catalogue number
GC64801
Brand
GLPBIO
Computed properties PubChem CID 89396474 · XLogP 2.1 · TPSA 302 Ų · H-bond donors 4
XLogP
2.1
TPSA
302 Ų
H-bond donors
4
H-bond acceptors
19
Rotatable bonds
35
Heavy atoms
94

SMILES C[C@@H](C(=O)NC1=CC=C(C=C1)C2=CN3[C@@H](C2)C=NC4=CC(=C(C=C4C3=O)OC)OCCCOC5=C(C=C6C(=C5)N=C[C@@H]7CC(=CN7C6=O)C8=CC=C(C=C8)OC)OC)NC(=O)[C@H](C(C)C)NC(=O)CCOCCOCCOCCOCCNC(=O)CCN9C(=O)C=CC9=O

Computed descriptors from PubChem (CID 89396474), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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