4,4'-Dimethoxybenzil

Names

[ Name ]:
4,4'-Dimethoxybenzil

[Synonym ]:
4,4′-Dimethoxybenzil
MFCD00008405
EINECS 214-960-5
4,4‘-Dimethoxybenzil
1,2-bis(4-methoxyphenyl)ethane-1,2-dione

Biological Activity

[Description]:

4,4'-Dimethoxybenzil is a human intestinal carboxyl esterase (hiCE) inhibitor with Ki of 70 nM.

[Related Catalog]:

Signaling Pathways >> Others >> Others

Research Areas >> Cancer

[Target]

Ki: 70 nM (hiCE)[1]

[In Vitro]

By reducing irinotecaninduced diarrhea, hiCE inhibitors (e.g., 4,4'-Dimethoxybenzil, Compound 8) can improve the anti-cancer efficacy of irinotecan. To find effective hiCE inhibitors, a new virtual screening protocol that combines pharmacophore models derived from the hiCE structure and its ligands has been proposed[1].

[References]

[1]. GuoDong Zhang, et al. Predicting hiCE inhibitors based upon pharmacophore models derived from the receptor and its ligands. Science China Chemistry

[Related Small Molecules]

Chemical & Physical Properties

[ Density]:
1.183g/cm3

[ Boiling Point ]:
442.2ºC at 760 mmHg

[ Melting Point ]:
132-134ºC(lit.)

[ Molecular Formula ]:
C₁₆H₁₄O₄

[ Molecular Weight ]:
270.28000

[ Flash Point ]:
197.5ºC

[ Exact Mass ]:
270.08900

[ PSA ]:
52.60000

[ LogP ]:
2.76940

[ Vapour Pressure ]:
5.13E-08mmHg at 25°C

[ Index of Refraction ]:
1.566

MSDS

Click to get detail MSDS

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
22-24/25-36/37-26

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ HS Code ]:
2914509090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2914509090

[ Summary ]:
HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Articles

Preparation and evaluation of nickelmesogen for micropacked gas chromatography.

J. Chromatogr. A. 1043(2) , 255-63, (2004)

The preparation and mesomorphic properties of a substituted bis(dithiolene)nickel complex derived from 4, 4'-dimethoxybenzil are reported. The phase transition temperatures were based on data obtained...

Excited carbonyl formation in the combination and disproportionation of free radicals.

J. Biolumin. Chemilumin. 7(1) , 27-35, (1992)

The pyrolyisis of di-tert-butyl peroxyoxalate in the presence of para-substituted benzaldehydes produces almost quantitatively the corresponding p,p'-disubstituted benzils. The formation of these prod...

Diffuse X-ray scattering from 4,4'-dimethoxybenzil, C16H14O4: analysis via automatic refinement of a Monte Carlo model.

Acta Crystallogr. B 59(Pt 6) , 760-9, (2003)

A recently developed method for fitting a Monte Carlo computer-simulation model to observed single-crystal diffuse X-ray scattering has been used to study the diffuse scattering in 4,4'-dimethoxybenzi...