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LXR agonist 1

CAT: 0013-GTR19184904-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184904-01Size:25 mg
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Description
LXR agonist 1 is a potent small molecule activator of both LXR-α (AC50 = 1.5 nM) and LXR-β (AC50 = 12 nM) . Its ability to modulate cholesterol metabolism and inflammation has demonstrated promising research utility in models of atherosclerosis, both in vitro and in vivo.
CAS Number
1779524-90-1
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
C (C) C1=C (C2=C (C (C (F) (F) F) =CC=C2) N=C1) C3=CC (OC4=CC (S (N (CCN) C) (=O) =O) =CC=C4) =CC=C3
Molecular Formula
C27H26F3N3O3S
Molecular Weight
529.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

LXR agonist 1
CAS Number1779524-90-1
PubChem CID135379662
IUPAC NameN-(2-aminoethyl)-3-[3-[3-ethyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]-N-methylbenzenesulfonamide
Molecular FormulaC27H26F3N3O3S
Molecular Weight529.6
XLogP5.2
Topological Polar Surface Area93.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count37
Formal Charge0
Complexity837
SMILES
CCC1=CN=C2C(=C1C3=CC(=CC=C3)OC4=CC(=CC=C4)S(=O)(=O)N(C)CCN)C=CC=C2C(F)(F)F
InChI
InChI=1S/C27H26F3N3O3S/c1-3-18-17-32-26-23(11-6-12-24(26)27(28,29)30)25(18)19-7-4-8-20(15-19)36-21-9-5-10-22(16-21)37(34,35)33(2)14-13-31/h4-12,15-17H,3,13-14,31H2,1-2H3
InChIKey
QICVCEORZDRTHG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LXR agonist 1
CAS: 1779524-90-1
CID: 135379662
Formula: C27H26F3N3O3S
MW: 529.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight529.6
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass529.16469736
Monoisotopic Mass529.16469736
Topological Polar Surface Area93.9 Ų
Heavy Atom Count37
Formal Charge0
Complexity837
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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