| Identification | Back Directory | [Name]
4,4'-SULFONYLBIS(2-METHYLPHENOL) | [CAS]
16346-97-7 | [Synonyms]
4,4'-SULFONYLBIS(2-METHYLPHENOL)
Phenol, 4,4'-sulfonylbis[2-methyl-
3,3'-DIMETHYL-4,4'-DIHYDROXYDIPHENYL SULFONE
4,4'-Dihydroxy-3,3'-dimethyl[sulfonylbisbenzene] | [Molecular Formula]
C14H14O4S | [MDL Number]
MFCD00130281 | [MOL File]
16346-97-7.mol | [Molecular Weight]
278.32 |
| Chemical Properties | Back Directory | [Melting point ]
273-276 °C(lit.) | [Boiling point ]
518.8±50.0 °C(Predicted) | [density ]
1.343±0.06 g/cm3(Predicted) | [solubility ]
DMSO (Slightly), Methanol (Slightly, Heated) | [form ]
Solid | [pka]
7.25±0.20(Predicted) | [color ]
Pale Orange to Pale Red | [InChI]
1S/C14H14O4S/c1-9-7-11(3-5-13(9)15)19(17,18)12-4-6-14(16)10(2)8-12/h3-8,15-16H,1-2H3 | [InChIKey]
XTEGBRKTHOUETR-UHFFFAOYSA-N | [SMILES]
Cc1cc(ccc1O)S(=O)(=O)c2ccc(O)c(C)c2 |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
36/37/38 | [Safety Statements ]
26-36 | [WGK Germany ]
3 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Uses]
Topoisomerase IIα-IN-9 (NSC85582) is a bisphenol compound that has a moderate inhibitory effect on DNA topoisomerase Topoisomerase II (IC50: 571 μM). Topoisomerase IIα-IN-9 also exhibits a certain cell growth inhibitory effect, with IC50s of 117 μM and 218 μM for K562 and CHO, respectively[1]. | [References]
[1] A Three-Dimensional Quantitative Structure-Activity Analysis of a New Class of Bisphenol Topoisomerase II Inhibitors |
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