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Chemical structure of PC Mal-NHS carbonate ester

GC66961

PC Mal-NHS carbonate ester

Also known as (2,5-dioxopyrrolidin-1-yl) 1-[4-[4-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-4-oxobutoxy]-5-methoxy-2-nitrophenyl]ethyl carbonate

PC Mal-NHS carbonate ester is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs)

ChemicalCAS1408057-91-9MW562.48FormulaC24H26N4O12
CAS number
1408057-91-9
Molecular weight
562.48
Formula
C24H26N4O12
InChIKey
YDJBJIRRIMMTEU-UHFFFAOYSA-N
Catalogue number
GC66961
Brand
GLPBIO
Computed properties PubChem CID 123132071 · XLogP 0.2 · TPSA 204 Ų · H-bond donors 1
XLogP
0.2
TPSA
204 Ų
H-bond donors
1
H-bond acceptors
12
Rotatable bonds
14
Heavy atoms
40

SMILES CC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)NCCN2C(=O)C=CC2=O)OC)OC(=O)ON3C(=O)CCC3=O

Computed descriptors from PubChem (CID 123132071), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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