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Details

Stereochemistry ACHIRAL
Molecular Formula C27H21NO5S
Molecular Weight 471.524
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TTI-101

SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(O)C3=C2C=CC=C3)C4=C5C=CC=CC5=CC=C4O

InChI

InChIKey=QDCJDYWGYVPBDO-UHFFFAOYSA-N
InChI=1S/C27H21NO5S/c1-33-18-11-13-19(14-12-18)34(31,32)28-24-16-23(27(30)22-9-5-4-8-21(22)24)26-20-7-3-2-6-17(20)10-15-25(26)29/h2-16,28-30H,1H3

HIDE SMILES / InChI

Molecular Formula C27H21NO5S
Molecular Weight 471.524
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)
136.0 nM [Ki]
PubMed

PubMed

TitleDatePubMed
Stat3 signaling in acute myeloid leukemia: ligand-dependent and -independent activation and induction of apoptosis by a novel small-molecule Stat3 inhibitor.
2011 May 26
Inhibition of Stat3 activation suppresses caspase-3 and the ubiquitin-proteasome system, leading to preservation of muscle mass in cancer cachexia.
2015 Apr 24
C188-9, a small-molecule STAT3 inhibitor, exerts an antitumor effect on head and neck squamous cell carcinoma.
2019 Sep
Substance Class Chemical
Created
by admin
on Sat Dec 16 13:40:00 UTC 2023
Edited
by admin
on Sat Dec 16 13:40:00 UTC 2023
Record UNII
KZ3DLD11RQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TTI-101
Code English
TTI101
Code English
TTI 101 [WHO-DD]
Common Name English
STAT3 INHIBITOR C188-9
Common Name English
BENZENESULFONAMIDE, N-(1',2-DIHYDROXY(1,2'-BINAPHTHALEN)-4'-YL)-4-METHOXY-
Common Name English
C-188-9
Code English
STAT3 INHIBITOR TTI-101
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 866721
Created by admin on Sat Dec 16 13:40:00 UTC 2023 , Edited by admin on Sat Dec 16 13:40:00 UTC 2023
FDA ORPHAN DRUG 872022
Created by admin on Sat Dec 16 13:40:00 UTC 2023 , Edited by admin on Sat Dec 16 13:40:00 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C151932
Created by admin on Sat Dec 16 13:40:00 UTC 2023 , Edited by admin on Sat Dec 16 13:40:00 UTC 2023
PRIMARY
PUBCHEM
1324494
Created by admin on Sat Dec 16 13:40:00 UTC 2023 , Edited by admin on Sat Dec 16 13:40:00 UTC 2023
PRIMARY
CAS
432001-19-9
Created by admin on Sat Dec 16 13:40:00 UTC 2023 , Edited by admin on Sat Dec 16 13:40:00 UTC 2023
PRIMARY
FDA UNII
KZ3DLD11RQ
Created by admin on Sat Dec 16 13:40:00 UTC 2023 , Edited by admin on Sat Dec 16 13:40:00 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY