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S3I-201

CAT: 0931-T2505-06Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-T2505-06Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
501919-59-1
Target
STAT
Related Pathways
JAK/STAT signaling, Stem Cells
Purity
0.9905
Bioactivity
S3I-201 (S3I-201) is a selective Stat3 inhibitor (IC50: 86±33 μM) and low effect towards STAT1/5.
Smiles
Cc1ccc(cc1)S(=O)(=O)OCC(=O)Nc1ccc(C(O)=O)c(O)c1
Molecular Formula
C16H15NO7S
Molecular Weight
365.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

S 3I201

S3I-201 is 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. It has a role as a STAT3 inhibitor. It is a monohydroxybenzoic acid, an amidobenzoic acid and a tosylate ester.

CAS Number501919-59-1
PubChem CID252682
IUPAC Name2-hydroxy-4-[[2-(4-methylphenyl)sulfonyloxyacetyl]amino]benzoic acid
Molecular FormulaC16H15NO7S
Molecular Weight365.4
XLogP3
Topological Polar Surface Area138
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity578
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)NC2=CC(=C(C=C2)C(=O)O)O
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
Chemical Structure
2D Structure
2D structure of S 3I201
CAS: 501919-59-1
CID: 252682
Formula: C16H15NO7S
MW: 365.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.4
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass365.05692299
Monoisotopic Mass365.05692299
Topological Polar Surface Area138 Ų
Heavy Atom Count25
Formal Charge0
Complexity578
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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Alternative Products

CatalogName
bs-60432C-01S3I-201
A10817-10S3I-201 10mg
A10817-50S3I-201 50mg
A10817-5S3I-201 5mg
A10817-100S3I-201 100mg
E1KS1155NSC 74859 (S3I-201)
MBS576239S3I-201; NSC 74859
MBS386093-01S3I-201 (NSC 74859)

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