WAY-316606 (CHEBI:140700)

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ChEBI Name	WAY-316606

ChEBI ID	CHEBI:140700

Definition	A 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).

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C18H19F3N2O4S2

Net Charge

Average Mass

448.483

Monoisotopic Mass

448.07383

InChI

InChI=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

InChIKey

ITBGJNVZJBVPLJ-UHFFFAOYSA-N

SMILES

C1(=CC=CC=C1)S(C=2C=C(S(NC3CCNCC3)(=O)=O)C(=CC2)C(F)(F)F)(=O)=O

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	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	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	Sources
5-(phenylsulfonyl)-N-4-piperidinyl-2-(trifluoromethyl)benzene sulfonamide	ChEBI
WAY 316606	ChEBI

Registry Number	Type	Source
19311858	Reaxys Registry Number	Reaxys

Last Modified

14 May 2018