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CHEBI:140700 - WAY-316606

ChEBI IDCHEBI:140700
ChEBI NameWAY-316606
Stars
DefinitionA sulfonamide resulting from the formal condensation of the sulfonic acid group of 5-(phenylsulfonyl)-2-(trifluoromethyl)benzenesulfonic acid with the primary amino group of piperidin-4-amine. An inhibitor of secreted Frizzled-Related Protein-1 (sFRP-1).
Last Modified14 May 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H19F3N2O4S2
Net Charge0
Average Mass448.488
Monoisotopic Mass448.07383
SMILESO=S(=O)(NC1CCNCC1)c1cc(S(=O)(=O)c2ccccc2)ccc1C(F)(F)F
InChIInChI=1S/C18H19F3N2O4S2/c19-18(20,21)16-7-6-15(28(24,25)14-4-2-1-3-5-14)12-17(16)29(26,27)23-13-8-10-22-11-9-13/h1-7,12-13,22-23H,8-11H2
InChIKeyITBGJNVZJBVPLJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
secreted frizzled-related protein 1 inhibitor  Any inhibitor of secreted frizzled-related protein 1 (SFRP1). The level of SFRP1 affects osteoblast apoptosis and proliferation, so SFRP1 inhibitors have the potential to be used for the treatment of osteoporosis or other bone related disorders.
ChEBI Ontology
Outgoing Relation(s)
WAY-316606 (CHEBI:140700) has role secreted frizzled-related protein 1 inhibitor (CHEBI:140701)
WAY-316606 (CHEBI:140700) is a (trifluoromethyl)benzenes (CHEBI:83565)
WAY-316606 (CHEBI:140700) is a piperidines (CHEBI:26151)
WAY-316606 (CHEBI:140700) is a secondary amino compound (CHEBI:50995)
WAY-316606 (CHEBI:140700) is a sulfonamide (CHEBI:35358)
WAY-316606 (CHEBI:140700) is a sulfone (CHEBI:35850)
IUPAC Name 
5-(phenylsulfonyl)-N-(piperidin-4-yl)-2-(trifluoromethyl)benzenesulfonamide
Synonyms  Source
WAY 316606ChEBI
5-(phenylsulfonyl)-N-4-piperidinyl-2-(trifluoromethyl)benzene sulfonamideChEBI
Registry NumbersSources
Reaxys:19311858Reaxys
Citations