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Chemical structure of Amino-PEG4-Val-Cit-PAB-MMAE

GC62289

Amino-PEG4-Val-Cit-PAB-MMAE

Also known as [4-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate

Amino-PEG4-Val-Cit-PAB-MMAE is a cleavable 4 unit PEG ADC linker used in the synthesis of antibody-drug conjugates (ADCs)

ChemicalCAS1492056-71-9MW1370.71FormulaC69H115N11O17
CAS number
1492056-71-9
Molecular weight
1370.71
Formula
C69H115N11O17
Solubility
DMSO ： 100 mg/mL (72·95 mM; Need ultrasonic)
InChIKey
QTTIHRGTMDWEEX-SFLKBQQHSA-N
Catalogue number
GC62289
Brand
GLPBIO
Computed properties PubChem CID 118087501 · XLogP 3 · TPSA 372 Ų · H-bond donors 9
XLogP
3
TPSA
372 Ų
H-bond donors
9
H-bond acceptors
18
Rotatable bonds
47
Heavy atoms
97

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](C)[C@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCOCCOCCOCCOCCN

Computed descriptors from PubChem (CID 118087501), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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