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Chemical structure of DBCO-PEG4-MMAF

GC62261

DBCO-PEG4-MMAF

Also known as (2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid

DBCO-PEG4-MMAF is a drug-linker conjugate for ADC with potent antitumor activity by using the tubulin polymerization inhibitor, MMAF, linked via the cleavable linker DBCO-PEG4

ChemicalCAS2360411-65-8MW1266.56FormulaC69H99N7O15
CAS number
2360411-65-8
Molecular weight
1266.56
Formula
C69H99N7O15
Solubility
DMSO ： 200 mg/mL (157·91 mM; Need ultrasonic)
InChIKey
RBWQPQSLVDNXHD-KAHYCXMTSA-N
Catalogue number
GC62261
Brand
GLPBIO
Computed properties PubChem CID 146681201 · XLogP 5.5 · TPSA 261 Ų · H-bond donors 4
XLogP
5.5
TPSA
261 Ų
H-bond donors
4
H-bond acceptors
15
Rotatable bonds
39
Heavy atoms
91

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)C(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53

Computed descriptors from PubChem (CID 146681201), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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