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Chemical structure of Glucocorticoid receptor agonist-1 phosphate Gly-Glu-Br

GC69173

Glucocorticoid receptor agonist-1 phosphate Gly-Glu-Br

Also known as (4S)-4-[[2-[(2-bromoacetyl)amino]acetyl]amino]-5-[3-[[4-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-9,13-dimethyl-16-oxo-8-(2-phosphonooxyacetyl)-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-6-yl]phenyl]methyl]anilino]-5-oxopentanoic acid

Glucocorticoid receptor agonist-1 phosphate Gly-Glu-Br is an ADC linker that can be used to synthesize ABBV-154, ABBV-927, ABBV-368 or similar compounds

ChemicalCAS2344809-82-9MW956.77FormulaC44H51BrN3O14P
CAS number
2344809-82-9
Molecular weight
956.77
Formula
C44H51BrN3O14P
Solubility
DMSO ： 160 mg/mL (167·23 mM; Need ultrasonic)
InChIKey
ZBDBWQXHJRYKRS-YUKZWUOUSA-N
Catalogue number
GC69173
Brand
GLPBIO
Computed properties PubChem CID 138699265 · XLogP 2.1 · TPSA 264 Ų · H-bond donors 7
XLogP
2.1
TPSA
264 Ų
H-bond donors
7
H-bond acceptors
14
Rotatable bonds
16
Heavy atoms
63

SMILES C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(O[C@@H](O4)C5=CC=C(C=C5)CC6=CC(=CC=C6)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)CBr)C(=O)COP(=O)(O)O)CCC7=CC(=O)C=C[C@]37C)O

Computed descriptors from PubChem (CID 138699265), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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