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Chemical structure of DM21

GC63498

DM21

Also known as [(1S,2R,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[6-[[[(2S)-2-[[(2R)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]methylsulfanyl]hexanoyl-methylamino]propanoate

DM21 is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs)

ChemicalCAS2243689-80-5MW1215.84FormulaC58H83ClN8O16S
CAS number
2243689-80-5
Molecular weight
1215.84
Formula
C58H83ClN8O16S
Solubility
DMSO ： 120 mg/mL (98·70 mM; Need ultrasonic)
InChIKey
SJIJPSFCGJDQNG-ZPKZLEQESA-N
Catalogue number
GC63498
Brand
GLPBIO
Computed properties PubChem CID 163342336 · XLogP 2.6 · TPSA 336 Ų · H-bond donors 6
XLogP
2.6
TPSA
336 Ų
H-bond donors
6
H-bond acceptors
17
Rotatable bonds
26
Heavy atoms
84

SMILES C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C\C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCCCCSCNC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCCCCN5C(=O)C=CC5=O)C)\C)OC)(NC(=O)O2)O

Computed descriptors from PubChem (CID 163342336), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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