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Details

Stereochemistry ACHIRAL
Molecular Formula C16H15NO7S
Molecular Weight 365.358
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of S31-201

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)NC2=CC=C(C(O)=O)C(O)=C2

InChI

InChIKey=HWNUSGNZBAISFM-UHFFFAOYSA-N
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)

HIDE SMILES / InChI

Molecular Formula C16H15NO7S
Molecular Weight 365.358
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P40763
Gene ID: 6774.0
Gene Symbol: STAT3
Target Organism: Homo sapiens (Human)
86.0 µM [IC50]
PubMed

PubMed

TitleDatePubMed
Luteolin enhances paclitaxel-induced apoptosis in human breast cancer MDA-MB-231 cells by blocking STAT3.
2014 Apr 25
Antitumor progression potential of morusin suppressing STAT3 and NFκB in human hepatoma SK-Hep1 cells.
2015 Jan 22
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:32:55 GMT 2023
Edited
by admin
on Sat Dec 16 08:32:55 GMT 2023
Record UNII
JG1E8503OI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
S31-201
Common Name English
BENZOIC ACID, 2-HYDROXY-4-((2-(((4-METHYLPHENYL)SULFONYL)OXY)ACETYL)AMINO)-
Common Name English
S3I-201
Code English
NSC-74859
Code English
Code System Code Type Description
FDA UNII
JG1E8503OI
Created by admin on Sat Dec 16 08:32:55 GMT 2023 , Edited by admin on Sat Dec 16 08:32:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID00198234
Created by admin on Sat Dec 16 08:32:55 GMT 2023 , Edited by admin on Sat Dec 16 08:32:55 GMT 2023
PRIMARY
NSC
74859
Created by admin on Sat Dec 16 08:32:55 GMT 2023 , Edited by admin on Sat Dec 16 08:32:55 GMT 2023
PRIMARY
CAS
501919-59-1
Created by admin on Sat Dec 16 08:32:55 GMT 2023 , Edited by admin on Sat Dec 16 08:32:55 GMT 2023
PRIMARY
PUBCHEM
252682
Created by admin on Sat Dec 16 08:32:55 GMT 2023 , Edited by admin on Sat Dec 16 08:32:55 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY