CHEBI:91224 - S3I-201

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ChEBI Name S3I-201
ChEBI ID CHEBI:91224
Definition An amidobenzoic acid obtained by formal condensation of the carboxy group of [(4-methylbenzene-1-sulfonyl)oxy]acetic acid with the amino group of 4-amino-2-hydroxybenzoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H15NO7S
Net Charge 0
Average Mass 365.360
Monoisotopic Mass 365.057
InChI InChI=1S/C16H15NO7S/c1-10-2-5-12(6-3-10)25(22,23)24-9-15(19)17-11-4-7-13(16(20)21)14(18)8-11/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21)
InChIKey HWNUSGNZBAISFM-UHFFFAOYSA-N
SMILES C(=O)(C1=C(C=C(C=C1)NC(=O)COS(C2=CC=C(C=C2)C)(=O)=O)O)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): STAT3 inhibitor
An inhibitor of signal transducer and activator of transcription 3 (STAT3)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing S3I-201 (CHEBI:91224) has role STAT3 inhibitor (CHEBI:87183)
S3I-201 (CHEBI:91224) is a amidobenzoic acid (CHEBI:48470)
S3I-201 (CHEBI:91224) is a monohydroxybenzoic acid (CHEBI:25389)
S3I-201 (CHEBI:91224) is a tosylate ester (CHEBI:83351)
IUPAC Name
2-hydroxy-4-{2-[(4-methylbenzene-1-sulfonyl)oxy]acetamido}benzoic acid
Synonyms Sources
NSC 74859 ChEBI
NSC-74859 ChemIDplus
S31-201 ChemIDplus
Manual Xref Database
LSM-6243 LINCS
View more database links
Registry Numbers Types Sources
15603473 Reaxys Registry Number Reaxys
501919-59-1 CAS Registry Number ChemIDplus
Last Modified
25 February 2016