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Sulindac sulfone

CAT: 0013-GTR19173866-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19173866-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Sulindac sulfone, a metabolite of the anti-inflammatory drug sulindac, acts as an aldose reductase inhibitor with an IC50 of 367 nM. This compound is utilized in research on diabetic complications, serving as a tool for in vitro enzymatic studies and in vivo metabolic investigations.
CAS Number
59864-04-9
Product Name Alternative
Sulindac sulfone, Exisulind, Inhibitor, inhibit, Aldose Reductase, COX-2
Field of Research
Cell Biology
Purity
>98%
Bioactivity
Modulates beta-catenin-mediated effects
Form
Powder
Solubility
Soluble in DMSO (up to 25 mg/ml) .
Smiles
CC1=C (CC (O) =O) c2cc (F) ccc2\C1=C\c1ccc (cc1) S (C) (=O) =O
Molecular Formula
C20H17FO4S
Molecular Weight
372.41
Storage Conditions
RT
Notes
For research use only.
Other Product Names
(Z) -5-Fluoro-2-methyl-1-[p- (methylsulfonyl) benzylidene]indene-3-acetic acid

Chemical Information

(Z)-5-Fluoro-2-methyl-1-[p-(methylsulfonyl)benzylidene]indene-3-acetic acid
CAS Number59864-04-9
PubChem CID6158261
IUPAC Name2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid
Molecular FormulaC20H17FO4S
Molecular Weight372.4
XLogP3.5
Topological Polar Surface Area79.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity723
SMILES
CC\1=C(C2=C(/C1=C/C3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)O
InChI
InChI=1S/C20H17FO4S/c1-12-17(9-13-3-6-15(7-4-13)26(2,24)25)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9+
InChIKey
MVGSNCBCUWPVDA-RQZCQDPDSA-N
Chemical Structure
2D Structure
2D structure of (Z)-5-Fluoro-2-methyl-1-[p-(methylsulfonyl)benzylidene]indene-3-acetic acid
CAS: 59864-04-9
CID: 6158261
Formula: C20H17FO4S
MW: 372.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.4
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass372.08315835
Monoisotopic Mass372.08315835
Topological Polar Surface Area79.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity723
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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