B68

(2S)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide


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Chemical Component Summary

Name(2S)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
Identifiers(2S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
FormulaC19 H18 F3 N3 O6
Molecular Weight441.358
TypeNON-POLYMER
Isomeric SMILESCC(=O)Nc1ccc(cc1)OC[C@@](C)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])O
InChIInChI=1S/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1
InChIKeyYVXVTLGIDOACBJ-SFHVURJKSA-N

Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count1
Bond Count50
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB07423 
NameAndarine
Groups experimental
DescriptionAndarine is a non-steroidal selective androgen receptor modulator.
Synonyms
  • Andarine
  • (2S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
Categories
  • Acetates
  • Acids, Acyclic
  • Amides
  • Amines
  • Aniline Compounds
CAS number401900-40-1

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 CHEMBL125236
PubChem 9824562
ChEMBL CHEMBL125236
ChEBI CHEBI:94760