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LXRα agonist 1

CAT: 0804-HY-173393Size: 1 EachDry Ice: NoHazardous: No
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Description
LXRα agonist 1 (Compound 40) is a selective LXRα agonist (EC50: 42 nM). LXRα agonist 1 also has a certain agonistic effect on LXRβ (EC50: 266 nM). LXRα agonist 1 promotes target gene transcription by stabilizing the ligand binding domain (LBD) of LXRα. LXRα agonist 1 exhibits potent antitumor effects in hepatocellular carcinoma cells when combined with the Raf inhibitor Sorafenib. LXRα agonist 1 can be used in the study of lipotoxic cancers[1].
CAS Number
1790089-97-2
UNSPSC
12352005
Target
LXR
Related Pathways
Metabolic Enzyme/Protease; Vitamin D Related/Nuclear Receptor
Applications
Cancer-programmed cell death
Field of Research
Cancer
Smiles
O=C(C(C1=CC=CC=C1)=C2NC3=CC=C(N4CCCCC4)C=C3)N(CC5=CC=CC=C5)C2=O
Molecular Formula
C28H27N3O2
Molecular Weight
437.53
References & Citations
[1]Galvez B Pedreira J, et al. Uncovering α-Selectivity for Liver X Receptor Agonists for Lipotoxic Cancer Therapies. J Med Chem. 2025 Apr 10;68 (7) :7180-7196.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

LXR|A agonist 1
CAS Number1790089-97-2
PubChem CID110594455
IUPAC Name1-benzyl-3-phenyl-4-(4-piperidin-1-ylanilino)pyrrole-2,5-dione
Molecular FormulaC28H27N3O2
Molecular Weight437.5
XLogP5.3
Topological Polar Surface Area52.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity721
SMILES
C1CCN(CC1)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H27N3O2/c32-27-25(22-12-6-2-7-13-22)26(28(33)31(27)20-21-10-4-1-5-11-21)29-23-14-16-24(17-15-23)30-18-8-3-9-19-30/h1-2,4-7,10-17,29H,3,8-9,18-20H2
InChIKey
XNAXGNVKNMAHSV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LXR|A agonist 1
CAS: 1790089-97-2
CID: 110594455
Formula: C28H27N3O2
MW: 437.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.5
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass437.21032711
Monoisotopic Mass437.21032711
Topological Polar Surface Area52.7 Ų
Heavy Atom Count33
Formal Charge0
Complexity721
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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