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Chemical structure of GW-870086

GC31936

GW-870086

Also known as cyanomethyl (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate

GW-870086 is a potent anti-inflammatory agent, acting as a glucocorticoid receptor agonist, with a pIC50 of 10·1 in A549 cells expressing NF-κB

ChemicalCAS827319-43-7MW559.64FormulaC31H39F2NO6
CAS number
827319-43-7
Molecular weight
559.64
Formula
C31H39F2NO6
Solubility
DMSO ： 100 mg/mL (178·69 mM; Need ultrasonic)
InChIKey
WUBKGTSFJSEIEM-NSHBDUGJSA-N
Catalogue number
GC31936
Brand
GLPBIO
Computed properties PubChem CID 11376392 · XLogP 4.7 · TPSA 114 Ų · H-bond donors 1
XLogP
4.7
TPSA
114 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
40

SMILES C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)OCC#N)OC(=O)C5C(C5(C)C)(C)C)C)O)F)C)F

Computed descriptors from PubChem (CID 11376392), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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