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C188-9

CAT: 1410-M18547-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M18547-07Size:100 mg
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Description
C188-9 is a Stat3 inhibitor with an IC50 of 4-7 μM.
CAS Number
432001-19-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
471.52
Molecular Formula
C27H21NO5S
Notes
Research use only, not for human use.
Receptor
STAT3

Chemical Information

Tti-101

STAT3 Inhibitor C-188-9 is an orally bioavailable, binaphthol-sulfonamide-based inhibitor of signal transducer and activator of transcription 3 (STAT3), with potential antineoplastic activity. Upon oral administration, the STAT3 inhibitor C-188-9 specifically targets and binds to the phosphotyrosyl peptide binding site within the Src homology 2 (SH2) domain of STAT3. This inhibits the Janus kinase (JAK)-mediated tyrosine phosphorylation and activation of STAT3. This impedes nuclear translocation of STAT3, prevents STAT3 binding to responsive gene promoters and blocks STAT3-mediated regulation of gene expression. STAT3 regulates the transcription of genes involved in several cellular functions. STAT3 is constitutively activated in a variety of human cancers and plays a key role in neoplastic transformation, uncontrolled tumor cell proliferation, resistance to apoptosis, metastasis, immune evasion, tumor angiogenesis, epithelial-mesenchymal transition (EMT) and the Warburg effect.

CAS Number432001-19-9
PubChem CID1324494
IUPAC NameN-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide
Molecular FormulaC27H21NO5S
Molecular Weight471.5
XLogP5.8
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity776
SMILES
COC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)C4=C(C=CC5=CC=CC=C54)O
InChI
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
InChIKey
QDCJDYWGYVPBDO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tti-101
CAS: 432001-19-9
CID: 1324494
Formula: C27H21NO5S
MW: 471.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.5
XLogP35.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass471.11404394
Monoisotopic Mass471.11404394
Topological Polar Surface Area104 Ų
Heavy Atom Count34
Formal Charge0
Complexity776
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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C13533-01C188-9
A16804-2C188-9 2mg

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