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Chemical structure of SR12418

GC71019

SR12418

Also known as [(3S)-6-fluoro-3-[[4-[(2-methylpropan-2-yl)oxy]phenoxy]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-1-ylmethanone

SR12418 is a REV-ERB-specific synthetic ligand with IC50s of 68 nM and 119 nM for REV-ERBα and REV-ERBβ, respectively

ChemicalCAS1801185-08-9MW483.57FormulaC31H30FNO3
CAS number
1801185-08-9
Molecular weight
483.57
Formula
C31H30FNO3
Solubility
DMSO ： 100 mg/mL (206·80 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
JIWBEKKHQWSDNN-VWLOTQADSA-N
Catalogue number
GC71019
Brand
GLPBIO
Computed properties PubChem CID 91820666 · XLogP 6.9 · TPSA 38.8 Ų · H-bond donors 0
XLogP
6.9
TPSA
38.8 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
36

SMILES CC(C)(C)OC1=CC=C(C=C1)OC[C@@H]2CC3=C(CN2C(=O)C4=CC=CC5=CC=CC=C54)C=CC(=C3)F

Computed descriptors from PubChem (CID 91820666), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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