(Z)-5-Fluor-2-methyl-1-[[4-(methylthio)phenyl]methylen]-1H-inden-3-essigsure
Sulindac Sulfide
Grundinformationen
- CAS
49627-27-2- Standard-SMILES
CSc1ccc(/C=C2/C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1- InChIKey
LFWHFZJPXXOYNR-MFOYZWKCSA-N- Summenformel
- C20H17FO2S
- Durchschnittliche Molmasse
- 340,4 g/mol
- Monoisotopische Masse
- 340,093329
Überblick
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.
Namen und Bezeichner
- Bevorzugter Name
- Sulindac Sulfide
- IUPAC
- 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]acetic acid
- Lokaler Name
- (Z)-5-Fluor-2-methyl-1-[[4-(methylthio)phenyl]methylen]-1H-inden-3-essigsure
- Englischer Name
- SULINDAC SULFIDE
- Summenformel
- C20H17FO2S
- Molmasse
- 340.41
Namen und Synonyme
Sulindac sulfide49627-27-2Sulindac sulfide, (Z)-cis-Sulindac sulfideZ-sulindac sulfideDTXSID00490786UVA8S2DEYSulindac sulphide, (z)-DTXCID0029004CHEBI:75408RefChem:186733(1Z)-5-Fluoro-2-methyl-1-((4-(methylthio)phenyl)methylene)-1H-indene-3-acetic Acid
Weitere Namen anzeigen
Einecs 256-403-9Sulindac ImpuritySulindac Impurity CZ-Sulindac sulphideSulindac Impurity N92Sulinic acid EP impurity C
1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-(4-(methylthio)phenyl)methylene-, (Z)-256-403-9(Z)-Sulindac sulfideSulindac EP Impurity CSulindac sulphide2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]acetic acidCHEMBL18797Sulindac Sulphane
Datenbank-Bezeichner
- CAS
49627-27-2- PubChem CID
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,8
- Polarare Oberfläche (TPSA)
- 62,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 546
Physikochemische Eigenschaften
- Schmelzpunkt
- 189 · 189-191°C
- storage temp.
- -20 °C · -20°C Freezer
- Löslichkeit
- 22 mg/mL · DMSO: >22 mg/mL
- Aggregatzustand
- solid
- Farbe
- yellow
- Major Application
- pharmaceutical (small molecule)
- 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
- SMILES
- C1(=C/C2=CC=C(SC)C=C2)/C2=C(C=C(F)C=C2)C(CC(O)=O)=C/1C
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2930902000
- risk_code
- 22-42/43-63
- hazard_code
- Xn
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Drugs that prevent preterm labor and immature birth by suppressing uterine contractions (TOCOLYSIS). Agents used to delay premature uterine activity include magnesium sulfate, beta-mimetics, oxytocin antagonists, calcium channel inhibitors, and adrenergic beta-receptor agonists. The use of intravenous alcohol as a tocolytic is now obsolete.
Tissue LocationsKidney
Cellular LocationsCytoplasm
Ergänzende Hinweise
DefinitionChEBI: An aryl sulfide that is a metabolite of sulindac. A non-steroidal anti-inflammatory drug, which also has anticancer activity.
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