Products for Research Use Only

C188

CAT: 0013-GTR19197966Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197966Size:10 mg
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Description
C188 is a cell-permeable, small-molecule STAT3 inhibitor that selectively blocks IL-6-induced STAT3 phosphorylation and nuclear translocation by targeting its SH2 domain. It is a valuable research tool for studying STAT3-dependent signaling in cancer and inflammation, with demonstrated utility in both in vitro and in vivo models.
CAS Number
823828-18-8
Field of Research
Cell Biology, Signal Transduction, Stem Cell & Developmental Biology
Smiles
OC (=O) CSc1cc (NS (=O) (=O) c2ccc (cc2) C (O) =O) c2ccccc2c1O
Molecular Formula
C19H15NO7S2
Molecular Weight
433.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-((3-(Carboxymethylsulfanyl)-4-hydroxy-1-naphthyl)sulfamoyl)benzoic acid

a STAT3 inhibitor

CAS Number823828-18-8
PubChem CID1652812
IUPAC Name4-[[3-(carboxymethylsulfanyl)-4-hydroxynaphthalen-1-yl]sulfamoyl]benzoic acid
Molecular FormulaC19H15NO7S2
Molecular Weight433.5
XLogP3
Topological Polar Surface Area175
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity700
SMILES
C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C19H15NO7S2/c21-17(22)10-28-16-9-15(13-3-1-2-4-14(13)18(16)23)20-29(26,27)12-7-5-11(6-8-12)19(24)25/h1-9,20,23H,10H2,(H,21,22)(H,24,25)
InChIKey
CIERPRDYPKVDJO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-((3-(Carboxymethylsulfanyl)-4-hydroxy-1-naphthyl)sulfamoyl)benzoic acid
CAS: 823828-18-8
CID: 1652812
Formula: C19H15NO7S2
MW: 433.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight433.5
XLogP33
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass433.02899416
Monoisotopic Mass433.02899416
Topological Polar Surface Area175 Ų
Heavy Atom Count29
Formal Charge0
Complexity700
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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