ChemicalBook--->CAS DataBase List--->49627-27-2

49627-27-2

49627-27-2 Structure

49627-27-2 Structure
IdentificationBack Directory
[Name]

SULINDAC SULFIDE
[CAS]

49627-27-2
[Synonyms]

Einecs 256-403-9
SULINDAC SULPHIDE
(Z)-Sulindac sulfide
cis-Sulindac sulfide
Sulindac EP Impurity C (Sulindac Sulfide)
Sulindac Impurity 3(Sulindac EP Impurity C)
(Z)-5-FLUORO-2-METHYL-1-[P-(METHYLTHIO)BENZYLIDENE]INDENE-3-ACETIC ACID
(Z)-5-FLUORO-2-METHYL-1-(4-METHYLTHIOBENZYLIDENE)-1H-INDEN-3-YLACETIC ACID
5-Fluoro-2-methyl-1-[(Z)-[4-(methylthio)phenyl]methylene]-1H-indene-3-acetic acid
(Z)-5-fluoro-2-methyl-1-[[4-(methylthio)phenyl]methylene]-1H-indene-3-acetic acid
1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-((4-(methylthio)phenyl)methylene)-, (Z)-
1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-[[4-(methylthio)phenyl]methylene]-, (1Z)-
[EINECS(EC#)]

256-403-9
[Molecular Formula]

C20H17FO2S
[MDL Number]

MFCD00869764
[MOL File]

49627-27-2.mol
[Molecular Weight]

340.41
Chemical PropertiesBack Directory
[Melting point ]

189-191°C
[storage temp. ]

-20°C Freezer
[solubility ]

DMSO: >22 mg/mL
[form ]

solid
[color ]

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
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-42/43-63
[WGK Germany ]

3
[HS Code ]

2930902000
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

Yellow Solid
[Uses]

An active metabolite of Sulindac. Inhibits cyclooxygenase, but induces apoptosis by a cyclooxygenase-independent mechanism. Inhibition of Ras activation of Ref-1. Impairs nucleotide exchange on Ras by CDC25 and accelerates Ras hydrolysis of GTP by p120GAP.
[Definition]

ChEBI: An aryl sulfide that is a metabolite of sulindac. A non-steroidal anti-inflammatory drug, which also has anticancer activity.
Spectrum DetailBack Directory
[Spectrum Detail]

SULINDAC SULFIDE(49627-27-2)1HNMR
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