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Chemical structure of EC359

GC39174

EC359

Also known as (8S,11R,13S,14S,17S)-17-(1,1-difluoroprop-2-ynyl)-17-hydroxy-13-methyl-11-[4-(2,4,6-trimethylphenyl)phenyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

EC359 is a potent, selective, high affinity and orally active leukemia inhibitory factor receptor (LIFR) inhibitor with a Kd of 10·2 nM, which directly interacts with LIFR to effectively block LIF/LIFR interactions

ChemicalCAS2012591-09-0MW540.68FormulaC36H38F2O2
CAS number
2012591-09-0
Molecular weight
540.68
Formula
C36H38F2O2
Solubility
DMSO： 125 mg/mL (231·19 mM)
InChIKey
AHHXLJGAODIDAX-WQQPUSSASA-N
Catalogue number
GC39174
Brand
GLPBIO
Computed properties PubChem CID 139600278 · XLogP 6.5 · TPSA 37.3 Ų · H-bond donors 1
XLogP
6.5
TPSA
37.3 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
40

SMILES CC1=CC(=C(C(=C1)C)C2=CC=C(C=C2)[C@H]3C[C@]4([C@@H](CC[C@]4(C(C#C)(F)F)O)[C@H]5C3=C6CCC(=O)C=C6CC5)C)C

Computed descriptors from PubChem (CID 139600278), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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