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

GC64830

Azido-PEG4-Val-Cit-PAB-MMAE

Also known as [4-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-(2-azidoethoxy)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

Azido-PEG4-Val-Cit-PAB-MMAE is a drug-linker conjugate for ADC by using the anti-mitotic agent, monomethyl auristatin E (MMAE, a tubulin inhibitor), linked via the cleavable linker Azido-PEG4-Val-Cit-PAB-OH

ChemicalCAS1869126-64-6MW1396.71FormulaC69H113N13O17
CAS number
1869126-64-6
Molecular weight
1396.71
Formula
C69H113N13O17
InChIKey
PDBSIBYOBPJSRL-SFLKBQQHSA-N
Catalogue number
GC64830
Brand
GLPBIO
Computed properties PubChem CID 162642418 · XLogP 4.9 · TPSA 361 Ų · H-bond donors 8
XLogP
4.9
TPSA
361 Ų
H-bond donors
8
H-bond acceptors
19
Rotatable bonds
48
Heavy atoms
99

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=[N+]=[N-]

Computed descriptors from PubChem (CID 162642418), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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