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Chemical structure of PC-Biotin-PEG4-PEG3-azide

GC67640

PC-Biotin-PEG4-PEG3-azide

Also known as 1-[5-[[3-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]-2-nitrophenyl]ethyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]carbamate

PC-Biotin-PEG4-PEG3-azide is a cleavable 7 unit PEG ADC linker used in the synthesis of antibody-drug conjugates (ADCs)

ChemicalCAS2055198-04-2MW914.03FormulaC39H63N9O14S
CAS number
2055198-04-2
Molecular weight
914.03
Formula
C39H63N9O14S
InChIKey
APXHNGAQDHMBFB-OITTVKJVSA-N
Catalogue number
GC67640
Brand
GLPBIO
Computed properties PubChem CID 119058300 · XLogP 0.4 · TPSA 288 Ų · H-bond donors 5
XLogP
0.4
TPSA
288 Ų
H-bond donors
5
H-bond acceptors
17
Rotatable bonds
37
Heavy atoms
63

SMILES CC(C1=C(C=CC(=C1)CNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[N+](=O)[O-])OC(=O)NCCOCCOCCOCCN=[N+]=[N-]

Computed descriptors from PubChem (CID 119058300), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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