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Chemical structure of LXR agonist 1

GC26796

LXR agonist 1

Also known as N-(2-aminoethyl)-3-[3-[3-ethyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]-N-methylbenzenesulfonamide

LXR (Liver X receptor) agonist 1 is potent LXR agonist with AC50s of 1·5 nM and 12 nM for LXR-α and LXR-β, respectively

ChemicalCAS1779524-90-1MW529.57FormulaC27H26F3N3O3S
CAS number
1779524-90-1
Molecular weight
529.57
Formula
C27H26F3N3O3S
Solubility
DMSO : 175 mg/mL (330·46 mM; Need ultrasonic)
InChIKey
QICVCEORZDRTHG-UHFFFAOYSA-N
Catalogue number
GC26796
Brand
GLPBIO
Computed properties PubChem CID 135379662 · XLogP 5.2 · TPSA 93.9 Ų · H-bond donors 1
XLogP
5.2
TPSA
93.9 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
37

SMILES CCC1=CN=C2C(=C1C3=CC(=CC=C3)OC4=CC(=CC=C4)S(=O)(=O)N(C)CCN)C=CC=C2C(F)(F)F

Computed descriptors from PubChem (CID 135379662), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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