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Chemical structure of PEG4-aminooxy-MMAF

GC39420

PEG4-aminooxy-MMAF

Also known as (2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid

PEG4-aminooxy-MMAF is a drug-linker conjugate for ADC with potent antitumor activity by using the potent antitubulin agent MMAF, linked via the noncleavable PEG4

ChemicalCAS1415246-35-3MW923.19FormulaC47H82N6O12
CAS number
1415246-35-3
Molecular weight
923.19
Formula
C47H82N6O12
Solubility
DMSO： 100 mg/mL (108·32 mM)
InChIKey
OJYZGXVPCDZLCK-KVEFUIBJSA-N
Catalogue number
GC39420
Brand
GLPBIO
Computed properties PubChem CID 89283237 · XLogP 1.2 · TPSA 221 Ų · H-bond donors 4
XLogP
1.2
TPSA
221 Ų
H-bond donors
4
H-bond acceptors
14
Rotatable bonds
33
Heavy atoms
65

SMILES CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)CCOCCOCCOCCON

Computed descriptors from PubChem (CID 89283237), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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