Sulindac Sulfone
2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid
Molecular Identity
Sulindac Sulfone
2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid
PubChem CID: 5472495
Sulindac sulfone is a sulfone metabolite of sulindac that inhibits cell growth by inducing apoptosis independently of cyclooxygenase inhibition. It inhibits the development and induces regression of premalignant adenomatous polyps. Lipoxygenase and Cox-2 inhibitor. It has a role as a cyclooxygenase 2 inhibitor, an EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor and an apoptosis inducer. It is a monocarboxylic acid, a sulfone and an organofluorine compound. It is functionally related to a sulindac.
2D Structure
Properties
C20H17FO4S
Molecular Formula
372.40
Molecular Weight
g/mol
372.0832
Exact Mass
Da
3.5
XLogP
Drug-like (Lipinski: < 5)
79.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
723
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)OIsomeric SMILES
SMILES: CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)OSynonyms(20)
Sulindac sulfoneExisulind59973-80-7PrevatecDTXSID6040246cis-5-Fluoro-2-methyl-1-(p-methylsulfonylbenzylidenyl)indene-3-acetic acidK619IIG2R95-Fluoro-2-methyl-1-((Z)-p-(methylsulfonyl)benzylidene)indene-3-acetic acid1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-((4-(methylsulfonyl)phenyl)methylene)-, (1Z)-DTXCID4020246CHEBI:64212NSC719619{(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfonyl)benzylidene]-1H-inden-3-yl}acetic acidOSIP 486823CP 248
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Sulindac Sulfone
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