FERb 033CAS# 1111084-78-6 |
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Quality Control & MSDS
3D structure
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| Cas No. | 1111084-78-6 | SDF | Download SDF |
| PubChem ID | 56972236 | Appearance | Powder |
| Formula | C13H9ClFNO3 | M.Wt | 281.67 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Solubility | Soluble to 100 mM in DMSO and to 100 mM in ethanol | ||
| Chemical Name | (6E)-2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one | ||
| SMILES | C1=CC(=C(C=C1C2=C(C(=O)C(=CNO)C=C2)Cl)F)O | ||
| Standard InChIKey | IEBJACOMZQEPOY-SOFGYWHQSA-N | ||
| Standard InChI | InChI=1S/C13H9ClFNO3/c14-12-9(3-1-8(6-16-19)13(12)18)7-2-4-11(17)10(15)5-7/h1-6,16-17,19H/b8-6+ | ||
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
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| About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
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| Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. | ||
| Description | Potent and selective ERβ receptor agonist (Ki = 7.1 nM, EC50 = 4.8 nM). Displays 62-fold selectivity over ERα. |
FERb 033 Dilution Calculator
FERb 033 Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 3.5503 mL | 17.7513 mL | 35.5025 mL | 71.0051 mL | 88.7563 mL |
| 5 mM | 0.7101 mL | 3.5503 mL | 7.1005 mL | 14.201 mL | 17.7513 mL |
| 10 mM | 0.355 mL | 1.7751 mL | 3.5503 mL | 7.1005 mL | 8.8756 mL |
| 50 mM | 0.071 mL | 0.355 mL | 0.7101 mL | 1.4201 mL | 1.7751 mL |
| 100 mM | 0.0355 mL | 0.1775 mL | 0.355 mL | 0.7101 mL | 0.8876 mL |
| * Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. | |||||
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Structural evolutions of salicylaldoximes as selective agonists for estrogen receptor beta.[Pubmed:19128016]
J Med Chem. 2009 Feb 12;52(3):858-67.
The bioisosteric replacement of the phenol ring, a signature functional group of most estrogen receptor (ER) ligands, with a hydrogen-bonded pseudocyclic ring, led to the development of a novel class of nonsteroidal ER-ligands based on a salicylaldoxime template. A series of structural modifications were applied to selected molecules belonging to the monoaryl-salicylaldoxime chemical class in an attempt to improve further their ERbeta-selective receptor affinity and agonist properties. Among several modifications, the best results were obtained by the simultaneous introduction of a meta-fluorine atom into the para-hydroxyphenyl substituent present in the 4-position of salicylaldoxime, together with the insertion of a chloro group in the 3-position of the central scaffold. The resulting compound showed the best affinity (K(i) = 7.1 nM) and selectivity for ERbeta over ERalpha. Moreover, in transcription assays, it proved to be a selective and potent ERbeta-full agonist with an EC(50) of 4.8 nM.
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