Sulindac sulfone

Base Information

• Chemical Name: Sulindac sulfone
• CAS No.: 59864-04-9
• Molecular Formula: C₂₀H₁₇FO₄S
• Molecular Weight: 372.417
• NSC Number: 719619
• UNII: K619IIG2R9
• DSSTox Substance ID: DTXSID6040246
• Wikipedia: Exisulind
• Wikidata: Q5420370
• NCI Thesaurus Code: C1239
• Metabolomics Workbench ID: 63239
• ChEMBL ID: CHEMBL488025
• Mol file: 59864-04-9.mol

Synonyms:(5-fluoro-2-methyl-1-(3,4,5-trimethoxybenzylidene)-3-(N-benzyl)-indene)-acetamide;1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-((4-(methylsulfonyl)phenyl)methylene)-, (Z)-;Aptosyn;CP 248;CP248;exisulind;FGN-1;OSIP 486823;OSIP-486823;OSIP486823;sulindac sulfone;sulindac sulfone, (Z)-isomer

Chemical Property of Sulindac sulfone

Chemical Property:

• Vapor Pressure: 2.45E-15mmHg at 25°C
• Melting Point: 201～203℃
• Boiling Point: 601.9°C at 760 mmHg
• Flash Point: 317.8°C
• PSA: 79.82000
• Density: 1.36g/cm³
• LogP: 5.11240
• Storage Temp.: RT
• Solubility.: DMSO: >25 mg/mL
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 372.08315835
• Heavy Atom Count: 26
• Complexity: 723

Purity/Quality:

98%,99%, ^*data from raw suppliers

Sulindac sulfone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)O
• Isomeric SMILES: CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)O
• Recent ClinicalTrials: Combination Chemotherapy in Treating Patients With Advanced Non-Small Cell Lung Cancer
• Description: Sulindac sulfone (59864-04-9) is a metabolite of the cyclooxygenase inhibitor sulindac that induces apoptosis via inhibition of type 5 phosphodiesterases.1 Sulindac sulfone does not inhibit cyclooxygenase at physiological concentrations but does inhibit K-ras-dependent cyclooxygenase-2 expression in colon cancer cells.2 Modulates beta-catenin mediated effects. 3
• Uses: Sulindac Sulfone is an inhibitor of growth and inducer of apoptosis in cancer cell lines.

Technology Process of Sulindac sulfone

There total 1 articles about Sulindac sulfone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ sulindac sulfone (59864-04-9)

Guidance literature:

Sulfinylverbindung 1 (n=1), m-Chlorperbenzoesaeure, Me2CO;

Refernces

• 1、 -. "Method for treating patients with psoriasis by administering substituted sulfonyl indenyl acetic acids, esters and alcohols". . . Retrieved 2008/06/13.
• 2、 -. "β-D-glucosyluronic acid derivatives". . . Retrieved 2008/06/13.