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Sulindac sulfide

CAT: 0804-HY-B1786-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1786-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Sulindac sulfide is a noncompetitive γ-secretase inhibitor, with an IC50 of 20.2 μM for γ42-secretase activity.
CAS Number
49627-27-2
Product Name Alternative
Cis-Sulindac sulfide
UNSPSC
12352005
Hazard Statement
H302, H312, H332
Target
Drug Metabolite; γ-secretase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease; Neuronal Signaling; Stem Cell/Wnt
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/Sulindac_sulfide.html
Purity
99.07
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C(O)CC(C1=C/2C=CC(F)=C1)=C(C)C2=C\C3=CC=C(SC)C=C3
Molecular Formula
C20H17FO2S
Molecular Weight
340.41
Precautions
H302, H312, H332
References & Citations
[1]Takahashi Y, et al. Sulindac sulfide is a noncompetitive gamma-secretase inhibitor that preferentially reduces Abeta 42 generation. J Biol Chem. 2003 May 16;278 (20) :18664-70.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Sulindac Sulfide

Sulindac sulfide is an aryl sulfide that is a metabolite of sulindac. A non-steroidal anti-inflammatory drug, which also has anticancer activity. It has a role as a non-steroidal anti-inflammatory drug, an antineoplastic agent and an apoptosis inducer. It is a monocarboxylic acid, an aryl sulfide and an organofluorine compound. It is functionally related to a sulindac.

CAS Number49627-27-2
PubChem CID5352624
IUPAC Name2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]acetic acid
Molecular FormulaC20H17FO2S
Molecular Weight340.4
XLogP4.8
Topological Polar Surface Area62.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity546
SMILES
CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)SC)C=CC(=C2)F)CC(=O)O
InChI
InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)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
LFWHFZJPXXOYNR-MFOYZWKCSA-N
Chemical Structure
2D Structure
2D structure of Sulindac Sulfide
CAS: 49627-27-2
CID: 5352624
Formula: C20H17FO2S
MW: 340.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.4
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass340.09332912
Monoisotopic Mass340.09332912
Topological Polar Surface Area62.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity546
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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