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N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE


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Chemical Component Summary

NameN-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE
IdentifiersN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxy-propan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
FormulaC17 H12 F9 N O3 S
Molecular Weight481.333
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)S(=O)(=O)[N@@](CC(F)(F)F)c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O
InChIInChI=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
InChIKeySGIWFELWJPNFDH-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count1
Bond Count44
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB07080 
NameTO-901317
Groups experimental
DescriptionTO-901317 is an LXRalpha and LXRbeta agonist.
SynonymsTO-901317
Categories
  • Amides
  • Benzene Derivatives
  • Hydrocarbons, Fluorinated
  • Hydrocarbons, Halogenated
  • Sulfonamides
CAS number293754-55-9

Drug Targets

NameTarget SequencePharmacological ActionActions
Oxysterols receptor LXR-betaMSSPTTSSLDTPLPGNGPPQPGAPSSSPTVKEEGPEPWPGGPDPDVPGTD...unknown
Nuclear receptor coactivator 2MSGMGENTSDPSRAETRKRKECPDQLGPSPKRNTEKRNREQENKYIEELA...unknown
Retinoic acid receptor RXR-betaMSWAARPPFLPQRHAAGQCGPVGVRKEMHCGVASRWRRRRPWLDPAAAAA...unknown
Oxysterols receptor LXR-alphaMSLWLGAPVPDIPPDSAVELWKPGAQDASSQAQGGSSCILREEARMPHSA...unknown
Nuclear receptor coactivator 1MSGLGDSSSDPANPDSHKRKGSPCDTLASSTEKRRREQENKYLEELAELL...unknown
View More
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL62136
PubChem 447912
ChEMBL CHEMBL62136