CAS 1226-42-2|4,4'-Dimethoxybenzil
| Common Name | 4,4'-Dimethoxybenzil | ||
|---|---|---|---|
| CAS Number | 1226-42-2 | Molecular Weight | 270.28000 |
| Density | 1.183g/cm3 | Boiling Point | 442.2ºC at 760 mmHg |
| Molecular Formula | C16H14O4 | Melting Point | 132-134ºC(lit.) |
| MSDS | ChineseUSA | Flash Point | 197.5ºC |
Names
| Name | 4,4'-Dimethoxybenzil |
|---|---|
| Synonym | More Synonyms |
4,4'-Dimethoxybenzil BiologicalActivity
| Description | 4,4'-Dimethoxybenzil is a human intestinal carboxyl esterase (hiCE) inhibitor with Ki of 70 nM. |
|---|---|
| Related Catalog | Signaling Pathways >>Others >>OthersResearch 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 |
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 |
| InChIKey | YNANGXWUZWWFKX-UHFFFAOYSA-N |
| SMILES | COc1ccc(C(=O)C(=O)c2ccc(OC)cc2)cc1 |
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 |
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% |
Articles3
More 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... |
Synonyms
| 4,4′-Dimethoxybenzil |
| MFCD00008405 |
| EINECS 214-960-5 |
| 4,4‘-Dimethoxybenzil |
| 1,2-bis(4-methoxyphenyl)ethane-1,2-dione |
