Products for Research Use Only
RegisterLogin

Exisulind

CAT: 0804-HY-13633-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-13633-02Size:10 mM - 1 mL
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Exisulind is an inactive metabolite of the nonsteroidal, anti-inflammatory agent sulindac[1]. Exisulind inhibits aldose reductase with an IC50 of 367 nM in vitro and may contribute to the beneficial pharmacological effects of sulindac on type 2 diabetic complications[2].
CAS Number
59864-04-9
UNSPSC
12352005
Target
Aldose Reductase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease; Cancer
Assay Protocol
https://www.medchemexpress.com/exisulind.html
Concentration
10mM
Purity
98.04
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(O)CC(C1=C/2C=CC(F)=C1)=C(C)C2=C/C3=CC=C(S(=O)(C)=O)C=C3
Molecular Formula
C20H17FO4S
Molecular Weight
372.41
References & Citations
[1]Kitamura S, Tatsumi K. In vitro metabolism of sulindac and sulindac sulfide: enzymatic formation of sulfoxide and sulfone. Jpn J Pharmacol. 1982 Oct;32 (5) :833-8.|[2]Zheng X, et al. The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase. FEBS Lett. 2012 Jan 2;586 (1) :55-9.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 3

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

Alternative Products

CatalogName
E7600-5mgExisulind

Popular Products