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T0901317

CAT: 0931-T6690-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T6690-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
293754-55-9
Target
Liver X Receptor, FXR, Apoptosis, ROR
Related Pathways
Apoptosis, Metabolism
Purity
0.9964
Bioactivity
T0901317 is a potent and selective agonist for both LXR and FXR, with EC50 of ~50 nM and 5 μM, respectively; it inhibits nuclear factor/κB (NF/κB) .
Smiles
C(C(F)(F)F)(C(F)(F)F)(O)C1=CC=C(N(S(=O)(=O)C2=CC=CC=C2)CC(F)(F)F)C=C1
Molecular Formula
C17H12F9NO3S
Molecular Weight
481.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(2,2,2-Trifluoroethyl)-N-(4-(2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)phenyl)-benzenesulfonamide

TO-901317 is an LXRalpha and LXRbeta agonist.

CAS Number293754-55-9
PubChem CID447912
IUPAC NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
Molecular FormulaC17H12F9NO3S
Molecular Weight481.3
XLogP4.9
Topological Polar Surface Area66
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity684
SMILES
C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
InChIKey
SGIWFELWJPNFDH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2,2,2-Trifluoroethyl)-N-(4-(2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)phenyl)-benzenesulfonamide
CAS: 293754-55-9
CID: 447912
Formula: C17H12F9NO3S
MW: 481.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight481.3
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count5
Exact Mass481.03941788
Monoisotopic Mass481.03941788
Topological Polar Surface Area66 Ų
Heavy Atom Count31
Formal Charge0
Complexity684
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
A2249-5.1T0901317

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