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BMS-852927

CAT: 1410-M11054-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M11054-02Size:5 mg
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Description
A novel potent, partial LXRβ-selective agonist (EC50=9 nM) with 20% LXRα and 88% LXRβ activity compared to a full pan agonist in transactivation assays.
CAS Number
1256918-39-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
609.51
Molecular Formula
C29H28Cl2F2N2O4S
Notes
Research use only, not for human use.
Receptor
LXR

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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