Chemical Component Summary

NameN-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide
SynonymsN-[1-(5-bromo-2,3-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide
IdentifiersN-[1-[(5-bromo-2,3-dimethoxy-phenyl)methyl]piperidin-4-yl]-4-sulfanyl-butanamide
FormulaC18 H27 Br N2 O3 S
Molecular Weight431.388
TypeNON-POLYMER
Isomeric SMILESCOc1cc(cc(c1OC)CN2CCC(CC2)NC(=O)CCCS)Br
InChIInChI=1S/C18H27BrN2O3S/c1-23-16-11-14(19)10-13(18(16)24-2)12-21-7-5-15(6-8-21)20-17(22)4-3-9-25/h10-11,15,25H,3-9,12H2,1-2H3,(H,20,22)
InChIKeyHESMISSJMKCCAV-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count0
Bond Count53
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB07738 
NameN-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide
Groups experimental
SynonymsN-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide

Drug Targets

NameTarget SequencePharmacological ActionActions
Beta-secretase 1MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEE...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
PubChem 25134253