N-(2,2,2-Trifluoroethyl)-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide

Base Information

• Chemical Name: N-(2,2,2-Trifluoroethyl)-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide
• CAS No.: 293754-55-9
• Deprecated CAS: 577786-25-5
• Molecular Formula: C17H12F9NO3S
• Molecular Weight: 481.3327
• UNII: A07663A39I
• DSSTox Substance ID: DTXSID6040618
• Nikkaji Number: J1.503.100J
• Wikidata: Q27088909
• Pharos Ligand ID: B3JV9SPJ1CH8
• Metabolomics Workbench ID: 150264
• ChEMBL ID: CHEMBL62136
• Mol file: 293754-55-9.mol

Synonyms:N-(2,2,2-Trifluoroethyl)-N-(4-(2,2,2-trifluoro-1- hydroxy-1-trifluoromethylethyl)phenyl)benzenesulfonamide;N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxy-propan-2-yl)phenyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide;N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide;T 0901317;T 1371;T-0901317;T-1371;T0901317;T1371 cpd

Chemical Property of N-(2,2,2-Trifluoroethyl)-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide

Chemical Property:

• Vapor Pressure: 1.17E-09mmHg at 25°C
• Refractive Index: 1.491
• Boiling Point: 470.5 °C at 760 mmHg
• PKA: 9.00±0.15(Predicted)
• Flash Point: 238.4 °C
• PSA: 65.99000
• Density: 1.55 g/cm³
• LogP: 5.83720
• Storage Temp.: −20°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 5
• Exact Mass: 481.03941788
• Heavy Atom Count: 31
• Complexity: 684

Purity/Quality:

99% ^*data from raw suppliers

T 0901317 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical 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
• Uses: The Liver X Receptors (LXRα and LXRβ) are nuclear hormone receptors whose native ligands are oxysterols, such as 22(R)-hydroxycholesterol. The LXRs regulate the oxysterol-induced expression of cholesterol 7α-hydroxylase, the rate limiting enzyme of classic bile acid synthesis. T0901317 is a potent and selective agonist for both LXRα and LXRβ, with an EC50 of about 50 nM. T0901317 acting through LXR and in concert with its RXR heterodimerization partner induces the expression of the ABCA1 reverse cholesterol transporter. This acts to increase the efflux of cholesterol from enterocytes and thus inhibit the overall absorption of cholesterol. T0901317 is a potent and selective agonist for both liver x receptor (LXR) and farnesoid X receptor (FXR).