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Chemical structure of WAY-204688 (SIM-688)

GC31798

WAY-204688 (SIM-688)

Also known as (2S)-2-[(S)-(2-methoxyphenyl)-naphthalen-1-ylmethyl]-2-methyl-3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propanenitrile

WAY-204688 (SIM-688) is an estrogen receptor (ER-α) selective, orally active inhibitor of NF-κB transcriptional activity with an IC50 of 122±30 nM for NF-κB-luciferase (NF-κB-luc) in HAECT-1 cells

ChemicalCAS796854-35-8MW556.62FormulaC34H31F3N2O2
CAS number
796854-35-8
Molecular weight
556.62
Formula
C34H31F3N2O2
Solubility
DMSO ： 100 mg/mL (179·66 mM; Need ultrasonic)
InChIKey
JZPONCMNBSEYQW-CQTOTRCISA-N
Catalogue number
GC31798
Brand
GLPBIO
Computed properties PubChem CID 9829162 · XLogP 7.8 · TPSA 53.3 Ų · H-bond donors 0
XLogP
7.8
TPSA
53.3 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
41

SMILES C[C@@](C#N)([C@H](C1=CC=CC=C1OC)C2=CC=CC3=CC=CC=C32)C(=O)N4CCC(CC4)C5=CC(=CC=C5)C(F)(F)F

Computed descriptors from PubChem (CID 9829162), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
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