ChemicalBook--->CAS DataBase List--->160096-59-3

160096-59-3

160096-59-3 Structure

160096-59-3 Structure
IdentificationBack Directory
[Name]

VERATRYLCURCUMINOID
[CAS]

160096-59-3
[Synonyms]

DiMC
7-bis(3
6-heptadiene-3
Dimethoxycurcumin
Curcumin Dimethoxy
VERATRYLCURCUMINOID
4-dimethoxyphenyl)-1
Dimethoxycurcumin(DMC)
Dimethoxycurcumin(DiMC)
4',4''-O,O-dimethylcurcumin
1;7-BIS(3;4-DIMETHOXYPHENYL)-1;6-HEPTADIENE-3;5-DIONE
(1E,6E)-1,7-Bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
1,6-Heptadiene-3,5-dione, 1,7-bis(3,4-dimethoxyphenyl)-, (1E,6E)-
(1E,4Z,6E)-1,7-bis(3,4-dimethoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one
[Molecular Formula]

C23H24O6
[MDL Number]

MFCD28964095
[MOL File]

160096-59-3.mol
[Molecular Weight]

396.433
Chemical PropertiesBack Directory
[Melting point ]

130-131 °C(Solv: ethanol (64-17-5))
[Boiling point ]

587.0±50.0 °C(Predicted)
[density ]

1.169±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMF: 10 mg/ml; DMF:PBS(pH 7.2)(1:2): 0.30 mg/ml; DMSO: 5 mg/ml; Ethanol: 0.25 mg/ml
[form ]

A crystalline solid
[pka]

8.06±0.46(Predicted)
[color ]

Yellow to brown
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Description]

Dimethoxycurcumin is a derivative of curcumin that has anti-inflammatory and antioxidant activities. It inhibits mitogen-induced proliferation of CD4+ T cells, CD8+ T cells, and B cells, as well as secretion of IL-2, IL-4, IL-6, and IFN-γ induced by concanavalin A in isolated human lymphocytes when used at concentrations ranging from 1 to 10 μM. Dimethoxycurcumin (1-10 μM) inhibits LPS-induced nitric oxide (NO) production and expression of inducible nitric oxide synthase (iNOS) in RAW 264.7 cells. It inhibits hemolysis of isolated human red blood cells (RBCs) induced by AAPH when used at a concentration of 10 μM.
[Uses]

dimethoxy Curcumin is an analog of curcumin more effective at suppressing HCT116 tumor cells than the parent compound.
[Synthesis]

Veratraldehyde

120-14-9

Acetylacetone

123-54-6

VERATRYLCURCUMINOID

160096-59-3

2,4-Pentanedione (3 g, 30.0 mmol) and boronic anhydride (1.46 g, 21.0 mmol) were dissolved in ethyl acetate (30 ml) and heated and stirred at 45°C for 30 minutes. Subsequently, 3,4-dimethoxybenzaldehyde (9.96 g, 59.9 mmol) and tributyl borate (13.79 g, 59.9 mmol) were added and stirring was continued at 45°C for 30 min. Butylamine (4.44 ml, 44.9 mmol) dissolved in ethyl acetate (30 ml) was added slowly and dropwise over 15 minutes and the reaction mixture was stirred at 45°C for 16 hours. After completion of the reaction, an aqueous HCl solution prepared from 25.5 ml of water and 4.5 ml of concentrated hydrochloric acid was added, and the two-phase mixture was heated with stirring at 60°C for 1 hr. The organic layer was separated and the aqueous layer was extracted with ethyl acetate (50 ml). The organic phases were combined, washed sequentially with water, saturated sodium chloride solution, dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give a red oily crude product (10.42 g). The crude product was purified by silica gel column chromatography with ethyl acetate:hexane (50:50) as eluent to afford (1E,6E)-1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione as an orange solid (4.0 g, 34% yield). HPLC-UV analysis showed purity >97%.1H NMR (60 MHz, CDCl3) δ: 16.05 (1H, bs), 7.59 (2H, d), 6.76-7.26 (6H, m), 6.45 (2H, d), 5.79 (1H, s), 3.91 (6H, s), 3.89 (6H, s).

[References]

[1] Bioorganic and Medicinal Chemistry, 2009, vol. 17, # 1, p. 360 - 367
[2] Patent: WO2018/149578, 2018, A1. Location in patent: Page/Page column 16; 17
[3] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 24, p. 5621 - 5626
[4] Journal of Mass Spectrometry, 1998, vol. 33, # 4, p. 319 - 327
[5] Bioorganic and Medicinal Chemistry, 2005, vol. 13, # 11, p. 3811 - 3820
Spectrum DetailBack Directory
[Spectrum Detail]

VERATRYLCURCUMINOID(160096-59-3)1HNMR
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