CHEBI:138743 - L-798106

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ChEBI Name L-798106
ChEBI ID CHEBI:138743
Definition An 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).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Sabrina Toro
Supplier Information
Download Molfile XML SDF
Formula C27H22BrNO4S
Net Charge 0
Average Mass 536.439
Monoisotopic Mass 535.04529
InChI InChI=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+
InChIKey ODTKFNUPVBULRJ-NTCAYCPXSA-N
SMILES C=1C2=C(C=CC1)C=CC(=C2)CC3=C(C=CC=C3)/C=C/C(NS(C=4C=C(C=CC4OC)Br)(=O)=O)=O
Roles Classification
Biological Role(s): prostaglandin receptor antagonist
An antagonist that binds to and blocks the activity of prostaglandin receptors.
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ChEBI Ontology
Outgoing 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-propenamide SUBMITTER
Registry Numbers Types Sources
244101-02-8 CAS Registry Number SUBMITTER
8946912 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
20450909 PubMed citation Europe PMC
20973775 PubMed citation Europe PMC
25080527 PubMed citation Europe PMC
27465993 PubMed citation Europe PMC
27572469 PubMed citation Europe PMC
28701311 PubMed citation Europe PMC
28710231 PubMed citation Europe PMC
Last Modified
27 October 2017