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CAS No. : | 2455-14-3 | MDL No. : | MFCD00051798 |
Formula : | C28H40O2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | GQIGHOCYKUBBOE-UHFFFAOYSA-N |
M.W : | 408.62 | Pubchem ID : | 225283 |
Synonyms : |
|
Num. heavy atoms : | 30 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.57 |
Num. rotatable bonds : | 4 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 129.47 |
TPSA : | 34.14 Ų |
GI absorption : | Low |
BBB permeant : | No |
P-gp substrate : | Yes |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | Yes |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -3.16 cm/s |
Log Po/w (iLOGP) : | 5.09 |
Log Po/w (XLOGP3) : | 7.93 |
Log Po/w (WLOGP) : | 7.34 |
Log Po/w (MLOGP) : | 5.07 |
Log Po/w (SILICOS-IT) : | 7.25 |
Consensus Log Po/w : | 6.54 |
Lipinski : | 1.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 1.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -7.11 |
Solubility : | 0.0000321 mg/ml ; 0.0000000785 mol/l |
Class : | Poorly soluble |
Log S (Ali) : | -8.5 |
Solubility : | 0.0000013 mg/ml ; 0.0000000032 mol/l |
Class : | Poorly soluble |
Log S (SILICOS-IT) : | -6.72 |
Solubility : | 0.0000775 mg/ml ; 0.00000019 mol/l |
Class : | Poorly soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 2.0 |
Synthetic accessibility : | 4.98 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With [Cu(2,4-dihydroxypyrimidine-5-carboxylic acid)(phenanthroline)(CH3OH)]NO3.H2O; dihydrogen peroxide; sodium dodecyl-sulfate; potassium hydroxide; In water; at 60℃; for 5h; | At room temperature, equipped with a condenser and a thermometer 10ml three-necked flask were added 2,6-di-t-butylphenol (206mg,1mmol), potassium hydroxide (56mg, 1mmol), sodium dodecyl sulfate (SDS, 29mg, 1mmol), followed by addition of 5mLWater, stirring, adding copper complex (0.02mmol) as a catalyst. It was heated to 50 , with a 10mul syringeThe H2O2 (30percent) and slowly added dropwise to the mixed solution, was added 10 l of 15 minutes each, a total of twice, 5h the reaction was stopped.Reaction products were separated by TLC on silica gel thin layer previously prepared. The results show that: the conversion rate of 2,6-di-tert-butyl-phenol100percent, double the product benzoquinone content of 79percent, diphenyl quinone content of 21percent. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With oxygen; hypochloric acid; In hexane; at 37℃; for 1h;Product distribution / selectivity; | Table 5. Depletion of probucol or DTBP and corresponding yields of DPQ by different Ie- and 2e-oxidantsOxidant Probucol DTBPDepletion (percent) DPQ Yield (muM) Depletion (percent) DPQ Yield (muM)HOCl 98 +/-4 102+/-ll 96 +/-3 91 +/-8.7ONOO" 7+/-1 2.1 +/-0.2 6+/-1 1.9 +/-0.6H2O2 O+/-O O+/-O O+/-O O+/-OPbO2 99+/- 1.1 92 +/-21 99 +/- 0.4 145 +/-8.9Fe2VH2O2 3+/-1 8.7 +/-1.7 l+/-O 4.8 +/-3.7AAPH O+/-O O+/-O O+/-O O+/-OCu2+ 2+/-1 0.9 +/-0.1 O+/-O O+/-OCe4+ 15+/-2 78 +/- 7.9 16+/-1 89+/-11Probucol or DTBP dispersed in 2 mL hexane (final concentration 1 mM) was treated with the oxidant indicated (final concentration 5 mM) for 60 min under air and at 37 °C, the reaction mixture diluted with water (1 mL), extracted and the hexane phase analyzed as described in the Methods Section. Peroxynitrite (ONOO") was prepared, purified and standardized (s302nm -1670 M"'xm'') as described in Journal of Biological Chemistry 1991, 266:4244-4250. Abbreviations: H2O2, hydrogen peroxide; AAPH, 2,2'-azobis(2-amidino-prorhoane)-hydrochloride, and Ce4+, cerium (IV). | |
With oxygen; In hexane; at 37℃; for 1h;Product distribution / selectivity; | Table 5. Depletion of probucol or DTBP and corresponding yields of DPQ by different Ie- and 2e-oxidantsOxidant Probucol DTBPDepletion (percent) DPQ Yield (muM) Depletion (percent) DPQ Yield (muM)HOCl 98 +/-4 102+/-ll 96 +/-3 91 +/-8.7ONOO" 7+/-1 2.1 +/-0.2 6+/-1 1.9 +/-0.6H2O2 O+/-O O+/-O O+/-O O+/-OPbO2 99+/- 1.1 92 +/-21 99 +/- 0.4 145 +/-8.9Fe2VH2O2 3+/-1 8.7 +/-1.7 l+/-O 4.8 +/-3.7AAPH O+/-O O+/-O O+/-O O+/-OCu2+ 2+/-1 0.9 +/-0.1 O+/-O O+/-OCe4+ 15+/-2 78 +/- 7.9 16+/-1 89+/-11Probucol or DTBP dispersed in 2 mL hexane (final concentration 1 mM) was treated with the oxidant indicated (final concentration 5 mM) for 60 min under air and at 37 °C, the reaction mixture diluted with water (1 mL), extracted and the hexane phase analyzed as described in the Methods Section. Peroxynitrite (ONOO") was prepared, purified and standardized (s302nm -1670 M"'xm'') as described in Journal of Biological Chemistry 1991, 266:4244-4250. Abbreviations: H2O2, hydrogen peroxide; AAPH, 2,2'-azobis(2-amidino-prorhoane)-hydrochloride, and Ce4+, cerium (IV). | |
With oxygen; In hexane; at 37℃; for 1h;Product distribution / selectivity; | Table 5. Depletion of probucol or DTBP and corresponding yields of DPQ by different Ie- and 2e-oxidantsOxidant Probucol DTBPDepletion (percent) DPQ Yield (muM) Depletion (percent) DPQ Yield (muM)HOCl 98 +/-4 102+/-ll 96 +/-3 91 +/-8.7ONOO" 7+/-1 2.1 +/-0.2 6+/-1 1.9 +/-0.6H2O2 O+/-O O+/-O O+/-O O+/-OPbO2 99+/- 1.1 92 +/-21 99 +/- 0.4 145 +/-8.9Fe2VH2O2 3+/-1 8.7 +/-1.7 l+/-O 4.8 +/-3.7AAPH O+/-O O+/-O O+/-O O+/-OCu2+ 2+/-1 0.9 +/-0.1 O+/-O O+/-OCe4+ 15+/-2 78 +/- 7.9 16+/-1 89+/-11Probucol or DTBP dispersed in 2 mL hexane (final concentration 1 mM) was treated with the oxidant indicated (final concentration 5 mM) for 60 min under air and at 37 °C, the reaction mixture diluted with water (1 mL), extracted and the hexane phase analyzed as described in the Methods Section. Peroxynitrite (ONOO") was prepared, purified and standardized (s302nm -1670 M"'xm'') as described in Journal of Biological Chemistry 1991, 266:4244-4250. Abbreviations: H2O2, hydrogen peroxide; AAPH, 2,2'-azobis(2-amidino-prorhoane)-hydrochloride, and Ce4+, cerium (IV). |
With oxygen; In hexane; at 37℃; for 1h;Product distribution / selectivity; | Table 5. Depletion of probucol or DTBP and corresponding yields of DPQ by different Ie- and 2e-oxidantsOxidant Probucol DTBPDepletion (percent) DPQ Yield (muM) Depletion (percent) DPQ Yield (muM)HOCl 98 +/-4 102+/-ll 96 +/-3 91 +/-8.7ONOO" 7+/-1 2.1 +/-0.2 6+/-1 1.9 +/-0.6H2O2 O+/-O O+/-O O+/-O O+/-OPbO2 99+/- 1.1 92 +/-21 99 +/- 0.4 145 +/-8.9Fe2VH2O2 3+/-1 8.7 +/-1.7 l+/-O 4.8 +/-3.7AAPH O+/-O O+/-O O+/-O O+/-OCu2+ 2+/-1 0.9 +/-0.1 O+/-O O+/-OCe4+ 15+/-2 78 +/- 7.9 16+/-1 89+/-11Probucol or DTBP dispersed in 2 mL hexane (final concentration 1 mM) was treated with the oxidant indicated (final concentration 5 mM) for 60 min under air and at 37 °C, the reaction mixture diluted with water (1 mL), extracted and the hexane phase analyzed as described in the Methods Section. Peroxynitrite (ONOO") was prepared, purified and standardized (s302nm -1670 M"'xm'') as described in Journal of Biological Chemistry 1991, 266:4244-4250. Abbreviations: H2O2, hydrogen peroxide; AAPH, 2,2'-azobis(2-amidino-prorhoane)-hydrochloride, and Ce4+, cerium (IV). | |
With oxygen; In hexane; at 37℃; for 1h;Product distribution / selectivity; | Table 5. Depletion of probucol or DTBP and corresponding yields of DPQ by different Ie- and 2e-oxidantsOxidant Probucol DTBPDepletion (percent) DPQ Yield (muM) Depletion (percent) DPQ Yield (muM)HOCl 98 +/-4 102+/-ll 96 +/-3 91 +/-8.7ONOO" 7+/-1 2.1 +/-0.2 6+/-1 1.9 +/-0.6H2O2 O+/-O O+/-O O+/-O O+/-OPbO2 99+/- 1.1 92 +/-21 99 +/- 0.4 145 +/-8.9Fe2VH2O2 3+/-1 8.7 +/-1.7 l+/-O 4.8 +/-3.7AAPH O+/-O O+/-O O+/-O O+/-OCu2+ 2+/-1 0.9 +/-0.1 O+/-O O+/-OCe4+ 15+/-2 78 +/- 7.9 16+/-1 89+/-11Probucol or DTBP dispersed in 2 mL hexane (final concentration 1 mM) was treated with the oxidant indicated (final concentration 5 mM) for 60 min under air and at 37 °C, the reaction mixture diluted with water (1 mL), extracted and the hexane phase analyzed as described in the Methods Section. Peroxynitrite (ONOO") was prepared, purified and standardized (s302nm -1670 M"'xm'') as described in Journal of Biological Chemistry 1991, 266:4244-4250. Abbreviations: H2O2, hydrogen peroxide; AAPH, 2,2'-azobis(2-amidino-prorhoane)-hydrochloride, and Ce4+, cerium (IV). | |
With dihydrogen peroxide; oxygen; In hexane; at 37℃; for 1h;Product distribution / selectivity; | Table 5. Depletion of probucol or DTBP and corresponding yields of DPQ by different Ie- and 2e-oxidantsOxidant Probucol DTBPDepletion (percent) DPQ Yield (muM) Depletion (percent) DPQ Yield (muM)HOCl 98 +/-4 102+/-ll 96 +/-3 91 +/-8.7ONOO" 7+/-1 2.1 +/-0.2 6+/-1 1.9 +/-0.6H2O2 O+/-O O+/-O O+/-O O+/-OPbO2 99+/- 1.1 92 +/-21 99 +/- 0.4 145 +/-8.9Fe2VH2O2 3+/-1 8.7 +/-1.7 l+/-O 4.8 +/-3.7AAPH O+/-O O+/-O O+/-O O+/-OCu2+ 2+/-1 0.9 +/-0.1 O+/-O O+/-OCe4+ 15+/-2 78 +/- 7.9 16+/-1 89+/-11Probucol or DTBP dispersed in 2 mL hexane (final concentration 1 mM) was treated with the oxidant indicated (final concentration 5 mM) for 60 min under air and at 37 °C, the reaction mixture diluted with water (1 mL), extracted and the hexane phase analyzed as described in the Methods Section. Peroxynitrite (ONOO") was prepared, purified and standardized (s302nm -1670 M"'xm'') as described in Journal of Biological Chemistry 1991, 266:4244-4250. Abbreviations: H2O2, hydrogen peroxide; AAPH, 2,2'-azobis(2-amidino-prorhoane)-hydrochloride, and Ce4+, cerium (IV). | |
With oxygen; lead dioxide; In hexane; at 37℃; for 1h;Product distribution / selectivity; | Table 5. Depletion of probucol or DTBP and corresponding yields of DPQ by different Ie- and 2e-oxidantsOxidant Probucol DTBPDepletion (percent) DPQ Yield (muM) Depletion (percent) DPQ Yield (muM)HOCl 98 +/-4 102+/-ll 96 +/-3 91 +/-8.7ONOO" 7+/-1 2.1 +/-0.2 6+/-1 1.9 +/-0.6H2O2 O+/-O O+/-O O+/-O O+/-OPbO2 99+/- 1.1 92 +/-21 99 +/- 0.4 145 +/-8.9Fe2VH2O2 3+/-1 8.7 +/-1.7 l+/-O 4.8 +/-3.7AAPH O+/-O O+/-O O+/-O O+/-OCu2+ 2+/-1 0.9 +/-0.1 O+/-O O+/-OCe4+ 15+/-2 78 +/- 7.9 16+/-1 89+/-11Probucol or DTBP dispersed in 2 mL hexane (final concentration 1 mM) was treated with the oxidant indicated (final concentration 5 mM) for 60 min under air and at 37 °C, the reaction mixture diluted with water (1 mL), extracted and the hexane phase analyzed as described in the Methods Section. Peroxynitrite (ONOO") was prepared, purified and standardized (s302nm -1670 M"'xm'') as described in Journal of Biological Chemistry 1991, 266:4244-4250. Abbreviations: H2O2, hydrogen peroxide; AAPH, 2,2'-azobis(2-amidino-prorhoane)-hydrochloride, and Ce4+, cerium (IV). | |
With 2,2'-azobis(2-methylpropionamidine) dihydrochloride; oxygen; In hexane; at 37℃; for 1h;Product distribution / selectivity; | Table 5. Depletion of probucol or DTBP and corresponding yields of DPQ by different Ie- and 2e-oxidantsOxidant Probucol DTBPDepletion (percent) DPQ Yield (muM) Depletion (percent) DPQ Yield (muM)HOCl 98 +/-4 102+/-ll 96 +/-3 91 +/-8.7ONOO" 7+/-1 2.1 +/-0.2 6+/-1 1.9 +/-0.6H2O2 O+/-O O+/-O O+/-O O+/-OPbO2 99+/- 1.1 92 +/-21 99 +/- 0.4 145 +/-8.9Fe2VH2O2 3+/-1 8.7 +/-1.7 l+/-O 4.8 +/-3.7AAPH O+/-O O+/-O O+/-O O+/-OCu2+ 2+/-1 0.9 +/-0.1 O+/-O O+/-OCe4+ 15+/-2 78 +/- 7.9 16+/-1 89+/-11Probucol or DTBP dispersed in 2 mL hexane (final concentration 1 mM) was treated with the oxidant indicated (final concentration 5 mM) for 60 min under air and at 37 °C, the reaction mixture diluted with water (1 mL), extracted and the hexane phase analyzed as described in the Methods Section. Peroxynitrite (ONOO") was prepared, purified and standardized (s302nm -1670 M"'xm'') as described in Journal of Biological Chemistry 1991, 266:4244-4250. Abbreviations: H2O2, hydrogen peroxide; AAPH, 2,2'-azobis(2-amidino-prorhoane)-hydrochloride, and Ce4+, cerium (IV). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With oxygen; hypochloric acid; In hexane; at 37℃; for 1h;Product distribution / selectivity; | Table 5. Depletion of probucol or DTBP and corresponding yields of DPQ by different Ie- and 2e-oxidantsOxidant Probucol DTBPDepletion (percent) DPQ Yield (muM) Depletion (percent) DPQ Yield (muM)HOCl 98 +/-4 102+/-ll 96 +/-3 91 +/-8.7ONOO" 7+/-1 2.1 +/-0.2 6+/-1 1.9 +/-0.6H2O2 O+/-O O+/-O O+/-O O+/-OPbO2 99+/- 1.1 92 +/-21 99 +/- 0.4 145 +/-8.9Fe2VH2O2 3+/-1 8.7 +/-1.7 l+/-O 4.8 +/-3.7AAPH O+/-O O+/-O O+/-O O+/-OCu2+ 2+/-1 0.9 +/-0.1 O+/-O O+/-OCe4+ 15+/-2 78 +/- 7.9 16+/-1 89+/-11Probucol or DTBP dispersed in 2 mL hexane (final concentration 1 mM) was treated with the oxidant indicated (final concentration 5 mM) for 60 min under air and at 37 °C, the reaction mixture diluted with water (1 mL), extracted and the hexane phase analyzed as described in the Methods Section. Peroxynitrite (ONOO") was prepared, purified and standardized (s302nm -1670 M"'xm'') as described in Journal of Biological Chemistry 1991, 266:4244-4250. Abbreviations: H2O2, hydrogen peroxide; AAPH, 2,2'-azobis(2-amidino-prorhoane)-hydrochloride, and Ce4+, cerium (IV). | |
With oxygen; In hexane; at 37℃; for 1h;Product distribution / selectivity; | Table 5. Depletion of probucol or DTBP and corresponding yields of DPQ by different Ie- and 2e-oxidantsOxidant Probucol DTBPDepletion (percent) DPQ Yield (muM) Depletion (percent) DPQ Yield (muM)HOCl 98 +/-4 102+/-ll 96 +/-3 91 +/-8.7ONOO" 7+/-1 2.1 +/-0.2 6+/-1 1.9 +/-0.6H2O2 O+/-O O+/-O O+/-O O+/-OPbO2 99+/- 1.1 92 +/-21 99 +/- 0.4 145 +/-8.9Fe2VH2O2 3+/-1 8.7 +/-1.7 l+/-O 4.8 +/-3.7AAPH O+/-O O+/-O O+/-O O+/-OCu2+ 2+/-1 0.9 +/-0.1 O+/-O O+/-OCe4+ 15+/-2 78 +/- 7.9 16+/-1 89+/-11Probucol or DTBP dispersed in 2 mL hexane (final concentration 1 mM) was treated with the oxidant indicated (final concentration 5 mM) for 60 min under air and at 37 °C, the reaction mixture diluted with water (1 mL), extracted and the hexane phase analyzed as described in the Methods Section. Peroxynitrite (ONOO") was prepared, purified and standardized (s302nm -1670 M"'xm'') as described in Journal of Biological Chemistry 1991, 266:4244-4250. Abbreviations: H2O2, hydrogen peroxide; AAPH, 2,2'-azobis(2-amidino-prorhoane)-hydrochloride, and Ce4+, cerium (IV). | |
With oxygen; In hexane; at 37℃; for 1h;Product distribution / selectivity; | Table 5. Depletion of probucol or DTBP and corresponding yields of DPQ by different Ie- and 2e-oxidantsOxidant Probucol DTBPDepletion (percent) DPQ Yield (muM) Depletion (percent) DPQ Yield (muM)HOCl 98 +/-4 102+/-ll 96 +/-3 91 +/-8.7ONOO" 7+/-1 2.1 +/-0.2 6+/-1 1.9 +/-0.6H2O2 O+/-O O+/-O O+/-O O+/-OPbO2 99+/- 1.1 92 +/-21 99 +/- 0.4 145 +/-8.9Fe2VH2O2 3+/-1 8.7 +/-1.7 l+/-O 4.8 +/-3.7AAPH O+/-O O+/-O O+/-O O+/-OCu2+ 2+/-1 0.9 +/-0.1 O+/-O O+/-OCe4+ 15+/-2 78 +/- 7.9 16+/-1 89+/-11Probucol or DTBP dispersed in 2 mL hexane (final concentration 1 mM) was treated with the oxidant indicated (final concentration 5 mM) for 60 min under air and at 37 °C, the reaction mixture diluted with water (1 mL), extracted and the hexane phase analyzed as described in the Methods Section. Peroxynitrite (ONOO") was prepared, purified and standardized (s302nm -1670 M"'xm'') as described in Journal of Biological Chemistry 1991, 266:4244-4250. Abbreviations: H2O2, hydrogen peroxide; AAPH, 2,2'-azobis(2-amidino-prorhoane)-hydrochloride, and Ce4+, cerium (IV). |
With oxygen; In hexane; at 37℃; for 1h;Product distribution / selectivity; | Table 5. Depletion of probucol or DTBP and corresponding yields of DPQ by different Ie- and 2e-oxidantsOxidant Probucol DTBPDepletion (percent) DPQ Yield (muM) Depletion (percent) DPQ Yield (muM)HOCl 98 +/-4 102+/-ll 96 +/-3 91 +/-8.7ONOO" 7+/-1 2.1 +/-0.2 6+/-1 1.9 +/-0.6H2O2 O+/-O O+/-O O+/-O O+/-OPbO2 99+/- 1.1 92 +/-21 99 +/- 0.4 145 +/-8.9Fe2VH2O2 3+/-1 8.7 +/-1.7 l+/-O 4.8 +/-3.7AAPH O+/-O O+/-O O+/-O O+/-OCu2+ 2+/-1 0.9 +/-0.1 O+/-O O+/-OCe4+ 15+/-2 78 +/- 7.9 16+/-1 89+/-11Probucol or DTBP dispersed in 2 mL hexane (final concentration 1 mM) was treated with the oxidant indicated (final concentration 5 mM) for 60 min under air and at 37 °C, the reaction mixture diluted with water (1 mL), extracted and the hexane phase analyzed as described in the Methods Section. Peroxynitrite (ONOO") was prepared, purified and standardized (s302nm -1670 M"'xm'') as described in Journal of Biological Chemistry 1991, 266:4244-4250. Abbreviations: H2O2, hydrogen peroxide; AAPH, 2,2'-azobis(2-amidino-prorhoane)-hydrochloride, and Ce4+, cerium (IV). | |
With oxygen; In hexane; at 37℃; for 1h;Product distribution / selectivity; | Table 5. Depletion of probucol or DTBP and corresponding yields of DPQ by different Ie- and 2e-oxidantsOxidant Probucol DTBPDepletion (percent) DPQ Yield (muM) Depletion (percent) DPQ Yield (muM)HOCl 98 +/-4 102+/-ll 96 +/-3 91 +/-8.7ONOO" 7+/-1 2.1 +/-0.2 6+/-1 1.9 +/-0.6H2O2 O+/-O O+/-O O+/-O O+/-OPbO2 99+/- 1.1 92 +/-21 99 +/- 0.4 145 +/-8.9Fe2VH2O2 3+/-1 8.7 +/-1.7 l+/-O 4.8 +/-3.7AAPH O+/-O O+/-O O+/-O O+/-OCu2+ 2+/-1 0.9 +/-0.1 O+/-O O+/-OCe4+ 15+/-2 78 +/- 7.9 16+/-1 89+/-11Probucol or DTBP dispersed in 2 mL hexane (final concentration 1 mM) was treated with the oxidant indicated (final concentration 5 mM) for 60 min under air and at 37 °C, the reaction mixture diluted with water (1 mL), extracted and the hexane phase analyzed as described in the Methods Section. Peroxynitrite (ONOO") was prepared, purified and standardized (s302nm -1670 M"'xm'') as described in Journal of Biological Chemistry 1991, 266:4244-4250. Abbreviations: H2O2, hydrogen peroxide; AAPH, 2,2'-azobis(2-amidino-prorhoane)-hydrochloride, and Ce4+, cerium (IV). | |
With dihydrogen peroxide; oxygen; In hexane; at 37℃; for 1h;Product distribution / selectivity; | Table 5. Depletion of probucol or DTBP and corresponding yields of DPQ by different Ie- and 2e-oxidantsOxidant Probucol DTBPDepletion (percent) DPQ Yield (muM) Depletion (percent) DPQ Yield (muM)HOCl 98 +/-4 102+/-ll 96 +/-3 91 +/-8.7ONOO" 7+/-1 2.1 +/-0.2 6+/-1 1.9 +/-0.6H2O2 O+/-O O+/-O O+/-O O+/-OPbO2 99+/- 1.1 92 +/-21 99 +/- 0.4 145 +/-8.9Fe2VH2O2 3+/-1 8.7 +/-1.7 l+/-O 4.8 +/-3.7AAPH O+/-O O+/-O O+/-O O+/-OCu2+ 2+/-1 0.9 +/-0.1 O+/-O O+/-OCe4+ 15+/-2 78 +/- 7.9 16+/-1 89+/-11Probucol or DTBP dispersed in 2 mL hexane (final concentration 1 mM) was treated with the oxidant indicated (final concentration 5 mM) for 60 min under air and at 37 °C, the reaction mixture diluted with water (1 mL), extracted and the hexane phase analyzed as described in the Methods Section. Peroxynitrite (ONOO") was prepared, purified and standardized (s302nm -1670 M"'xm'') as described in Journal of Biological Chemistry 1991, 266:4244-4250. Abbreviations: H2O2, hydrogen peroxide; AAPH, 2,2'-azobis(2-amidino-prorhoane)-hydrochloride, and Ce4+, cerium (IV). | |
With oxygen; lead dioxide; In hexane; at 37℃; for 1h;Product distribution / selectivity; | Table 5. Depletion of probucol or DTBP and corresponding yields of DPQ by different Ie- and 2e-oxidantsOxidant Probucol DTBPDepletion (percent) DPQ Yield (muM) Depletion (percent) DPQ Yield (muM)HOCl 98 +/-4 102+/-ll 96 +/-3 91 +/-8.7ONOO" 7+/-1 2.1 +/-0.2 6+/-1 1.9 +/-0.6H2O2 O+/-O O+/-O O+/-O O+/-OPbO2 99+/- 1.1 92 +/-21 99 +/- 0.4 145 +/-8.9Fe2VH2O2 3+/-1 8.7 +/-1.7 l+/-O 4.8 +/-3.7AAPH O+/-O O+/-O O+/-O O+/-OCu2+ 2+/-1 0.9 +/-0.1 O+/-O O+/-OCe4+ 15+/-2 78 +/- 7.9 16+/-1 89+/-11Probucol or DTBP dispersed in 2 mL hexane (final concentration 1 mM) was treated with the oxidant indicated (final concentration 5 mM) for 60 min under air and at 37 °C, the reaction mixture diluted with water (1 mL), extracted and the hexane phase analyzed as described in the Methods Section. Peroxynitrite (ONOO") was prepared, purified and standardized (s302nm -1670 M"'xm'') as described in Journal of Biological Chemistry 1991, 266:4244-4250. Abbreviations: H2O2, hydrogen peroxide; AAPH, 2,2'-azobis(2-amidino-prorhoane)-hydrochloride, and Ce4+, cerium (IV). | |
With 2,2'-azobis(2-methylpropionamidine) dihydrochloride; oxygen; In hexane; at 37℃; for 1h;Product distribution / selectivity; | Table 5. Depletion of probucol or DTBP and corresponding yields of DPQ by different Ie- and 2e-oxidantsOxidant Probucol DTBPDepletion (percent) DPQ Yield (muM) Depletion (percent) DPQ Yield (muM)HOCl 98 +/-4 102+/-ll 96 +/-3 91 +/-8.7ONOO" 7+/-1 2.1 +/-0.2 6+/-1 1.9 +/-0.6H2O2 O+/-O O+/-O O+/-O O+/-OPbO2 99+/- 1.1 92 +/-21 99 +/- 0.4 145 +/-8.9Fe2VH2O2 3+/-1 8.7 +/-1.7 l+/-O 4.8 +/-3.7AAPH O+/-O O+/-O O+/-O O+/-OCu2+ 2+/-1 0.9 +/-0.1 O+/-O O+/-OCe4+ 15+/-2 78 +/- 7.9 16+/-1 89+/-11Probucol or DTBP dispersed in 2 mL hexane (final concentration 1 mM) was treated with the oxidant indicated (final concentration 5 mM) for 60 min under air and at 37 °C, the reaction mixture diluted with water (1 mL), extracted and the hexane phase analyzed as described in the Methods Section. Peroxynitrite (ONOO") was prepared, purified and standardized (s302nm -1670 M"'xm'') as described in Journal of Biological Chemistry 1991, 266:4244-4250. Abbreviations: H2O2, hydrogen peroxide; AAPH, 2,2'-azobis(2-amidino-prorhoane)-hydrochloride, and Ce4+, cerium (IV). |
Tags: 2455-14-3 synthesis path| 2455-14-3 SDS| 2455-14-3 COA| 2455-14-3 purity| 2455-14-3 application| 2455-14-3 NMR| 2455-14-3 COA| 2455-14-3 structure
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Precautionary Statements-General | |
Code | Phrase |
P101 | If medical advice is needed,have product container or label at hand. |
P102 | Keep out of reach of children. |
P103 | Read label before use |
Prevention | |
Code | Phrase |
P201 | Obtain special instructions before use. |
P202 | Do not handle until all safety precautions have been read and understood. |
P210 | Keep away from heat/sparks/open flames/hot surfaces. - No smoking. |
P211 | Do not spray on an open flame or other ignition source. |
P220 | Keep/Store away from clothing/combustible materials. |
P221 | Take any precaution to avoid mixing with combustibles |
P222 | Do not allow contact with air. |
P223 | Keep away from any possible contact with water, because of violent reaction and possible flash fire. |
P230 | Keep wetted |
P231 | Handle under inert gas. |
P232 | Protect from moisture. |
P233 | Keep container tightly closed. |
P234 | Keep only in original container. |
P235 | Keep cool |
P240 | Ground/bond container and receiving equipment. |
P241 | Use explosion-proof electrical/ventilating/lighting/equipment. |
P242 | Use only non-sparking tools. |
P243 | Take precautionary measures against static discharge. |
P244 | Keep reduction valves free from grease and oil. |
P250 | Do not subject to grinding/shock/friction. |
P251 | Pressurized container: Do not pierce or burn, even after use. |
P260 | Do not breathe dust/fume/gas/mist/vapours/spray. |
P261 | Avoid breathing dust/fume/gas/mist/vapours/spray. |
P262 | Do not get in eyes, on skin, or on clothing. |
P263 | Avoid contact during pregnancy/while nursing. |
P264 | Wash hands thoroughly after handling. |
P265 | Wash skin thouroughly after handling. |
P270 | Do not eat, drink or smoke when using this product. |
P271 | Use only outdoors or in a well-ventilated area. |
P272 | Contaminated work clothing should not be allowed out of the workplace. |
P273 | Avoid release to the environment. |
P280 | Wear protective gloves/protective clothing/eye protection/face protection. |
P281 | Use personal protective equipment as required. |
P282 | Wear cold insulating gloves/face shield/eye protection. |
P283 | Wear fire/flame resistant/retardant clothing. |
P284 | Wear respiratory protection. |
P285 | In case of inadequate ventilation wear respiratory protection. |
P231 + P232 | Handle under inert gas. Protect from moisture. |
P235 + P410 | Keep cool. Protect from sunlight. |
Response | |
Code | Phrase |
P301 | IF SWALLOWED: |
P304 | IF INHALED: |
P305 | IF IN EYES: |
P306 | IF ON CLOTHING: |
P307 | IF exposed: |
P308 | IF exposed or concerned: |
P309 | IF exposed or if you feel unwell: |
P310 | Immediately call a POISON CENTER or doctor/physician. |
P311 | Call a POISON CENTER or doctor/physician. |
P312 | Call a POISON CENTER or doctor/physician if you feel unwell. |
P313 | Get medical advice/attention. |
P314 | Get medical advice/attention if you feel unwell. |
P315 | Get immediate medical advice/attention. |
P320 | |
P302 + P352 | IF ON SKIN: wash with plenty of soap and water. |
P321 | |
P322 | |
P330 | Rinse mouth. |
P331 | Do NOT induce vomiting. |
P332 | IF SKIN irritation occurs: |
P333 | If skin irritation or rash occurs: |
P334 | Immerse in cool water/wrap n wet bandages. |
P335 | Brush off loose particles from skin. |
P336 | Thaw frosted parts with lukewarm water. Do not rub affected area. |
P337 | If eye irritation persists: |
P338 | Remove contact lenses, if present and easy to do. Continue rinsing. |
P340 | Remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P341 | If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P342 | If experiencing respiratory symptoms: |
P350 | Gently wash with plenty of soap and water. |
P351 | Rinse cautiously with water for several minutes. |
P352 | Wash with plenty of soap and water. |
P353 | Rinse skin with water/shower. |
P360 | Rinse immediately contaminated clothing and skin with plenty of water before removing clothes. |
P361 | Remove/Take off immediately all contaminated clothing. |
P362 | Take off contaminated clothing and wash before reuse. |
P363 | Wash contaminated clothing before reuse. |
P370 | In case of fire: |
P371 | In case of major fire and large quantities: |
P372 | Explosion risk in case of fire. |
P373 | DO NOT fight fire when fire reaches explosives. |
P374 | Fight fire with normal precautions from a reasonable distance. |
P376 | Stop leak if safe to do so. Oxidising gases (section 2.4) 1 |
P377 | Leaking gas fire: Do not extinguish, unless leak can be stopped safely. |
P378 | |
P380 | Evacuate area. |
P381 | Eliminate all ignition sources if safe to do so. |
P390 | Absorb spillage to prevent material damage. |
P391 | Collect spillage. Hazardous to the aquatic environment |
P301 + P310 | IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
P301 + P312 | IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
P301 + P330 + P331 | IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. |
P302 + P334 | IF ON SKIN: Immerse in cool water/wrap in wet bandages. |
P302 + P350 | IF ON SKIN: Gently wash with plenty of soap and water. |
P303 + P361 + P353 | IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
P304 + P312 | IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell. |
P304 + P340 | IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. |
P304 + P341 | IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P305 + P351 + P338 | IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. |
P306 + P360 | IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes. |
P307 + P311 | IF exposed: call a POISON CENTER or doctor/physician. |
P308 + P313 | IF exposed or concerned: Get medical advice/attention. |
P309 + P311 | IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician. |
P332 + P313 | IF SKIN irritation occurs: Get medical advice/attention. |
P333 + P313 | IF SKIN irritation or rash occurs: Get medical advice/attention. |
P335 + P334 | Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages. |
P337 + P313 | IF eye irritation persists: Get medical advice/attention. |
P342 + P311 | IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician. |
P370 + P376 | In case of fire: Stop leak if safe to Do so. |
P370 + P378 | In case of fire: |
P370 + P380 | In case of fire: Evacuate area. |
P370 + P380 + P375 | In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion. |
P371 + P380 + P375 | In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion. |
Storage | |
Code | Phrase |
P401 | |
P402 | Store in a dry place. |
P403 | Store in a well-ventilated place. |
P404 | Store in a closed container. |
P405 | Store locked up. |
P406 | Store in corrosive resistant/ container with a resistant inner liner. |
P407 | Maintain air gap between stacks/pallets. |
P410 | Protect from sunlight. |
P411 | |
P412 | Do not expose to temperatures exceeding 50 oC/ 122 oF. |
P413 | |
P420 | Store away from other materials. |
P422 | |
P402 + P404 | Store in a dry place. Store in a closed container. |
P403 + P233 | Store in a well-ventilated place. Keep container tightly closed. |
P403 + P235 | Store in a well-ventilated place. Keep cool. |
P410 + P403 | Protect from sunlight. Store in a well-ventilated place. |
P410 + P412 | Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF. |
P411 + P235 | Keep cool. |
Disposal | |
Code | Phrase |
P501 | Dispose of contents/container to ... |
P502 | Refer to manufacturer/supplier for information on recovery/recycling |
Physical hazards | |
Code | Phrase |
H200 | Unstable explosive |
H201 | Explosive; mass explosion hazard |
H202 | Explosive; severe projection hazard |
H203 | Explosive; fire, blast or projection hazard |
H204 | Fire or projection hazard |
H205 | May mass explode in fire |
H220 | Extremely flammable gas |
H221 | Flammable gas |
H222 | Extremely flammable aerosol |
H223 | Flammable aerosol |
H224 | Extremely flammable liquid and vapour |
H225 | Highly flammable liquid and vapour |
H226 | Flammable liquid and vapour |
H227 | Combustible liquid |
H228 | Flammable solid |
H229 | Pressurized container: may burst if heated |
H230 | May react explosively even in the absence of air |
H231 | May react explosively even in the absence of air at elevated pressure and/or temperature |
H240 | Heating may cause an explosion |
H241 | Heating may cause a fire or explosion |
H242 | Heating may cause a fire |
H250 | Catches fire spontaneously if exposed to air |
H251 | Self-heating; may catch fire |
H252 | Self-heating in large quantities; may catch fire |
H260 | In contact with water releases flammable gases which may ignite spontaneously |
H261 | In contact with water releases flammable gas |
H270 | May cause or intensify fire; oxidizer |
H271 | May cause fire or explosion; strong oxidizer |
H272 | May intensify fire; oxidizer |
H280 | Contains gas under pressure; may explode if heated |
H281 | Contains refrigerated gas; may cause cryogenic burns or injury |
H290 | May be corrosive to metals |
Health hazards | |
Code | Phrase |
H300 | Fatal if swallowed |
H301 | Toxic if swallowed |
H302 | Harmful if swallowed |
H303 | May be harmful if swallowed |
H304 | May be fatal if swallowed and enters airways |
H305 | May be harmful if swallowed and enters airways |
H310 | Fatal in contact with skin |
H311 | Toxic in contact with skin |
H312 | Harmful in contact with skin |
H313 | May be harmful in contact with skin |
H314 | Causes severe skin burns and eye damage |
H315 | Causes skin irritation |
H316 | Causes mild skin irritation |
H317 | May cause an allergic skin reaction |
H318 | Causes serious eye damage |
H319 | Causes serious eye irritation |
H320 | Causes eye irritation |
H330 | Fatal if inhaled |
H331 | Toxic if inhaled |
H332 | Harmful if inhaled |
H333 | May be harmful if inhaled |
H334 | May cause allergy or asthma symptoms or breathing difficulties if inhaled |
H335 | May cause respiratory irritation |
H336 | May cause drowsiness or dizziness |
H340 | May cause genetic defects |
H341 | Suspected of causing genetic defects |
H350 | May cause cancer |
H351 | Suspected of causing cancer |
H360 | May damage fertility or the unborn child |
H361 | Suspected of damaging fertility or the unborn child |
H361d | Suspected of damaging the unborn child |
H362 | May cause harm to breast-fed children |
H370 | Causes damage to organs |
H371 | May cause damage to organs |
H372 | Causes damage to organs through prolonged or repeated exposure |
H373 | May cause damage to organs through prolonged or repeated exposure |
Environmental hazards | |
Code | Phrase |
H400 | Very toxic to aquatic life |
H401 | Toxic to aquatic life |
H402 | Harmful to aquatic life |
H410 | Very toxic to aquatic life with long-lasting effects |
H411 | Toxic to aquatic life with long-lasting effects |
H412 | Harmful to aquatic life with long-lasting effects |
H413 | May cause long-lasting harmful effects to aquatic life |
H420 | Harms public health and the environment by destroying ozone in the upper atmosphere |
Sorry,this product has been discontinued.
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