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CHEBI:138743 - L-798106

ChEBI IDCHEBI:138743
ChEBI NameL-798106
Stars
DefinitionAn N-sulfonylcarboxamide resulting from the formal condensation of the carboxy group of o-naphthalen-2-ylcinnamic acid with the sulfonamide group of 5-bromo-2-methoxybenzenesulfonamide. It is a selective antagonist for the prostanoid receptor EP3, a prostaglandin receptor for prostaglandin E2 (PGE2).
Last Modified27 October 2017
Submittersabrina, zfin
DownloadsMolfile
FormulaC27H22BrNO4S
Net Charge0
Average Mass536.447
Monoisotopic Mass535.04529
SMILESCOc1ccc(Br)cc1S(=O)(=O)NC(=O)/C=C/c1ccccc1Cc1ccc2ccccc2c1
InChIInChI=1S/C27H22BrNO4S/c1-33-25-14-13-24(28)18-26(25)34(31,32)29-27(30)15-12-21-7-3-5-9-23(21)17-19-10-11-20-6-2-4-8-22(20)16-19/h2-16,18H,17H2,1H3,(H,29,30)/b15-12+
InChIKeyODTKFNUPVBULRJ-NTCAYCPXSA-N
Roles Classification
Biological Role:
prostaglandin receptor antagonist  An antagonist that binds to and blocks the activity of prostaglandin receptors.
ChEBI Ontology
Outgoing Relation(s)
L-798106 (CHEBI:138743) has role prostaglandin receptor antagonist (CHEBI:138887)
L-798106 (CHEBI:138743) is a N-sulfonylcarboxamide (CHEBI:90852)
L-798106 (CHEBI:138743) is a aromatic ether (CHEBI:35618)
L-798106 (CHEBI:138743) is a bromobenzenes (CHEBI:37149)
IUPAC Name 
(2E)-N-[(5-bromo-2-methoxyphenyl)sulfonyl]-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enamide
Synonym  Source
(2E)-N-[(5-bromo-2-methoxyphenyl)sulfonyl]-3-[2-(2-naphthalenylmethyl)phenyl]-2-propenamideSUBMITTER
Registry NumbersSources
Reaxys:8946912Reaxys
CAS:244101-02-8SUBMITTER
Citations