CAS Number1226-42-2
Synonyms4,4′-Dimethoxybenzil; MFCD00008405; EINECS 214-960-5; 4,4'-Dimethoxybenzil; 1,2-bis(4-methoxyphenyl)ethane-1,2-dione
Molecular FormulaCH3OC6H4COCOC6H4OCH3
Molecular Weight270.28
Purity98%
Density1.183g/cm3
Boiling Point442.2ºC at 760 mmHg
Melting Point132-134 °C (lit.)
Appearancesolid
EINECS214-960-5
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1226-42-2 |
| Catalog No. | 2A-9084514 |
| Chinese Name | 4,4'-二甲氧基苯酚酯 |
| Synonyms | 4,4′-Dimethoxybenzil; MFCD00008405; EINECS 214-960-5; 4,4'-Dimethoxybenzil; 1,2-bis(4-methoxyphenyl)ethane-1,2-dione |
| Molecular Formula | CH3OC6H4COCOC6H4OCH3 |
| Molecular Weight | 270.28 |
| Purity | 98 |
| Density | 1.183g/cm3 |
| Boiling Point | 442.2ºC at 760 mmHg |
| Melting Point | 132-134 °C (lit.) |
| Appearance | solid |
| Storage Condition | Keep the container sealed and stored in a cool, dr |
| Application | 4,4'-Dimethoxybenzil is a human gastrointestinal carboxyl esterase (hCECE) inhibitor with a Ki of 70 nM. |
| EINECS | 214-960-5 |
| HTC | 2914509090 |
| PubChem ID | 24849827 |
| MDL Number | MFCD00008405 |
| SMILES | COc1ccc(cc1)C(=O)C(=O)c2ccc(OC)cc2 |
| InChI | 1S/C16H14O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3 |
| InChI Key | YNANGXWUZWWFKX-UHFFFAOYSA-N |
| Beilstein/REAXYS | 531345 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | transportation |
| MSDS | msds/84514_1_1226_42_2.pdf |
| Bioactivity | 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 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 |
| Use of | 4,4'-Dimethoxybenzil is a human intestinal carboxyl esterase (hiCE) inhibitor with Ki of 70 nM. Properties Name 4,4'-Dimethoxybenzil Synonym More Synonyms 4,4'-Dimethoxybenzil 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 Ki: 70 nM (hiCE)[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 Molecular Formula C16H14O4 Exact Mass 270.08900 PSA 52.60000 LogP 2.76940 Index of Refraction 1.566 InChIKey YNANGXWUZWWFKX-UHFFFAOYSA-N |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 5.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: No dangerous goods IMDG Code: No dangerous goods International Air Transport Dangerous Regulations: No dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special precautions for users No data available |
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