LGD

6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE


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Chemical Component Summary

Name6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE
Synonyms1,2-DIHYDRO-6-N,N-BIS(2,2,2-TRIFLUOROETHYL)AMINO-4-TRIFLUOROMETHYL-2-QUINOLINONE
Identifiers6-(bis(2,2,2-trifluoroethyl)amino)-4-(trifluoromethyl)-1H-quinolin-2-one
FormulaC14 H9 F9 N2 O
Molecular Weight392.22
TypeNON-POLYMER
Isomeric SMILESc1cc2c(cc1N(CC(F)(F)F)CC(F)(F)F)C(=CC(=O)N2)C(F)(F)F
InChIInChI=1S/C14H9F9N2O/c15-12(16,17)5-25(6-13(18,19)20)7-1-2-10-8(3-7)9(14(21,22)23)4-11(26)24-10/h1-4H,5-6H2,(H,24,26)
InChIKeyULBPQWIGZUGPHU-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count0
Bond Count36
Aromatic Bond Count11

Drug Info: DrugBank

DrugBank IDDB08089 
NameLGD-2226
Groups experimental
DescriptionAn androgen receptor modulator.
Synonyms
  • 6-(Bis-(2,2,2-trifluoroethyl)amino)-4-trifluoromethyl-1H-quinolin-2-one
  • LGD-2226
Categories
  • Heterocyclic Compounds, Fused-Ring
  • Quinolines
CAS number328947-93-9

Drug Targets

NameTarget SequencePharmacological ActionActions
Androgen receptorMEVQLGLGRVYPRPPSKTYRGAFQNLFQSVREVIQNPGPRHPEAASAAPP...unknown
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 CHEMBL436784
PubChem 11560224
ChEMBL CHEMBL436784