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Chemical structure of Glucocorticoid receptor agonist-1

GC62663

Glucocorticoid receptor agonist-1

Also known as (1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[4-[(3-aminophenyl)methyl]phenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one

Glucocorticoid receptor agonist-1 is a potent glucocorticoid receptor agonist with an IC50 of 2·8 nM extracted from patent WO2017210471A1, compound 41

ChemicalCAS2166375-82-0MW569.69FormulaC35H39NO6
CAS number
2166375-82-0
Molecular weight
569.69
Formula
C35H39NO6
InChIKey
MPEPSOPXQDGEHP-WWBNNTNKSA-N
Catalogue number
GC62663
Brand
GLPBIO
Computed properties PubChem CID 134491939 · XLogP 4 · TPSA 119 Ų · H-bond donors 3
XLogP
4
TPSA
119 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
42

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)N)C(=O)CO)CCC7=CC(=O)C=C[C@]37C)O

Computed descriptors from PubChem (CID 134491939), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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