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BE1218

CAT: 1410-M35749-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M35749-03Size:10 mg
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Description
BE1218 is a liver X receptor (LXR) inverse agonist, active on LXRα and LXRβ, with IC50 values of 9 nM and 7 nM, respectively.
CAS Number
2893967-40-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
551.69
Molecular Formula
C30H30FNO4S2
Notes
Research use only, not for human use.
Receptor
Liver X Receptor

Chemical Information

N-(2-Fluorobenzyl)-2,4,6-trimethyl-N-((3'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)methyl)benzenesulfonamide
CAS Number2893967-40-1
PubChem CID164887446
IUPAC NameN-[(2-fluorophenyl)methyl]-2,4,6-trimethyl-N-[[4-(3-methylsulfonylphenyl)phenyl]methyl]benzenesulfonamide
Molecular FormulaC30H30FNO4S2
Molecular Weight551.7
XLogP6.1
Topological Polar Surface Area88.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity955
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=CC=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)C)CC4=CC=CC=C4F)C
InChI
InChI=1S/C30H30FNO4S2/c1-21-16-22(2)30(23(3)17-21)38(35,36)32(20-27-8-5-6-11-29(27)31)19-24-12-14-25(15-13-24)26-9-7-10-28(18-26)37(4,33)34/h5-18H,19-20H2,1-4H3
InChIKey
YZKNHPOMZOAMSW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-Fluorobenzyl)-2,4,6-trimethyl-N-((3'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)methyl)benzenesulfonamide
CAS: 2893967-40-1
CID: 164887446
Formula: C30H30FNO4S2
MW: 551.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight551.7
XLogP36.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass551.16002895
Monoisotopic Mass551.16002895
Topological Polar Surface Area88.3 Ų
Heavy Atom Count38
Formal Charge0
Complexity955
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

Alternative Products

CatalogName
BA7944-10BE1218

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