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XL041

CAT: 0804-HY-101973-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-101973-01Size:1 mg
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Description
XL041 (BMS-852927) is an LXRβ-selective agonist.
CAS Number
1256918-39-4
Product Name Alternative
BMS-852927
UNSPSC
12352005
Target
LXR
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease; Vitamin D Related/Nuclear Receptor
Applications
COVID-19-immunoregulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/BMS-852927.html
Concentration
10mM
Purity
99.44
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
OC(C)(C)C1=CN(C2=CC=C(C3=CC(S(=O)(C)=O)=C(CO)C(F)=C3)C=C2F)C(C(C)(C4=C(Cl)C=CC=C4Cl)C)=N1
Molecular Formula
C29H28Cl2F2N2O4S
Molecular Weight
609.51
References & Citations
[1]Kirchgessner TG, et al. Beneficial and Adverse Effects of an LXR Agonist on Human Lipid and Lipoprotein Metabolism and Circulating Neutrophils. Cell Metab. 2016 Aug 9;24 (2) :223-33.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 1

Chemical Information

Bms-852927
CAS Number1256918-39-4
PubChem CID49787490
IUPAC Name2-[2-[2-(2,6-dichlorophenyl)propan-2-yl]-1-[2-fluoro-4-[3-fluoro-4-(hydroxymethyl)-5-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol
Molecular FormulaC29H28Cl2F2N2O4S
Molecular Weight609.5
XLogP5.7
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count40
Formal Charge0
Complexity974
SMILES
CC(C)(C1=CN(C(=N1)C(C)(C)C2=C(C=CC=C2Cl)Cl)C3=C(C=C(C=C3)C4=CC(=C(C(=C4)S(=O)(=O)C)CO)F)F)O
InChI
InChI=1S/C29H28Cl2F2N2O4S/c1-28(2,26-19(30)7-6-8-20(26)31)27-34-25(29(3,4)37)14-35(27)23-10-9-16(11-22(23)33)17-12-21(32)18(15-36)24(13-17)40(5,38)39/h6-14,36-37H,15H2,1-5H3
InChIKey
HNAJDMYOTDNOBK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bms-852927
CAS: 1256918-39-4
CID: 49787490
Formula: C29H28Cl2F2N2O4S
MW: 609.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight609.5
XLogP35.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass608.1114903
Monoisotopic Mass608.1114903
Topological Polar Surface Area101 Ų
Heavy Atom Count40
Formal Charge0
Complexity974
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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GAC91839-01XL041
A19270-5XL041 5mg
A19270-1XL041 1mg
A19270-100XL041 100mg
A19270-10XL041 10mg
A19270-50XL041 50mg

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