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LXR-623 (Standard)

CAT: 0804-HY-10629R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-10629R-01Size:5 mg
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Description
LXR-623 (Standard) is the analytical standard of LXR-623. This product is intended for research and analytical applications. LXR-623 is a brain-penetrant partial LXRα and full LXRβ agonist, with IC50s of 24 nM and 179 nM, respectively.
CAS Number
875787-07-8
Product Name Alternative
WAY 252623 (Standard)
UNSPSC
12352005
Target
LXR; Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others; Vitamin D Related/Nuclear Receptor
Field of Research
Metabolic Disease; Cancer
Smiles
ClC1=C(CN2N=C(C(C(F)(F)F)=CC=C3)C3=C2C4=CC=C(F)C=C4)C=CC(F)=C1
Molecular Formula
C21H12ClF5N2
Molecular Weight
422.78
References & Citations
[1]Villa GR, et al. An LXR-Cholesterol Axis Creates a Metabolic Co-Dependency for Brain Cancers. Cancer Cell. 2016 Nov 14;30 (5) :683-693.|[2]Giannarelli C, et al. Synergistic effect of liver X receptor activation and simvastatin on plaque regression and stabilization: an magnetic resonance imaging study in a model of advanced atherosclerosis. Eur Heart J. 2012 Jan;33 (2) :264-73.|[3]Quinet EM, et al. LXR ligand lowers LDL cholesterol in primates, is lipid neutral in hamster, and reduces atherosclerosis in mouse. J Lipid Res. 2009 Dec;50 (12) :2358-70.|[4]DiBlasio-Smith EA, et al. Discovery and implementation of transcriptional biomarkers of synthetic LXR agonists in peripheral blood cells. J Transl Med. 2008 Oct 16;6:59.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Lxr-623

LX-623 is an organic molecular entity. It has a role as a liver X receptor agonist.

CAS Number875787-07-8
PubChem CID16734800
IUPAC Name2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)-7-(trifluoromethyl)indazole
Molecular FormulaC21H12ClF5N2
Molecular Weight422.8
XLogP6.5
Topological Polar Surface Area17.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity554
SMILES
C1=CC2=C(N(N=C2C(=C1)C(F)(F)F)CC3=C(C=C(C=C3)F)Cl)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H12ClF5N2/c22-18-10-15(24)9-6-13(18)11-29-20(12-4-7-14(23)8-5-12)16-2-1-3-17(19(16)28-29)21(25,26)27/h1-10H,11H2
InChIKey
KYWWJENKIMRJBI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lxr-623
CAS: 875787-07-8
CID: 16734800
Formula: C21H12ClF5N2
MW: 422.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.8
XLogP36.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass422.0609169
Monoisotopic Mass422.0609169
Topological Polar Surface Area17.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity554
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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