Introduction：Basic information about Emodin-3-methyl ether CAS 521-61-9, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Emodin-3-methyl ether Basic information
| Product Name: | Emodin-3-methyl ether |
| Synonyms: | 3-methoxy-6-methyl-;1,8-Dihydroxy-3-methoxy-6-methyl-9,10-anthraquinone;EMODIN-3-METHYLETHER(RG)(CALL);1,8-Dihydroxy-3-Methoxy-6-Methyl-;Rheochrysidin (Physcione);MethyleModin;Physcic acid;Przewalskinone B |
| CAS: | 521-61-9 |
| MF: | C16H12O5 |
| MW: | 284.26 |
| EINECS: | 208-315-7 |
| Product Categories: | Agro-Products;Aromatics;Inhibitors;chemical reagent;pharmaceutical intermediate;phytochemical;reference standards from Chinese medicinal herbs (TCM).;standardized herbal extract;The group of Polydatin;Anthraquinones, Hydroquinones and Quinones |
| Mol File: | 521-61-9.mol |
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Emodin-3-methyl ether Chemical Properties
| Melting point | 196-206°C |
| Boiling point | 560.5±50.0 °C(Predicted) |
| density | 1.448±0.06 g/cm3(Predicted) |
| storage temp. | -20°C Freezer, Under Inert Atmosphere |
| solubility | Chloroform (Slightly, Heated), Ethyl Acetate (Slightly, Heated), Methanol (Slightly) |
| form | Solid |
| pka | 6.23±0.20(Predicted) |
| color | Yellow to Dark Yellow to Dark Orange |
| BRN | 6770499 |
| Stability: | Hygroscopic |
| Major Application | food and beverages |
| InChI | InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3 |
| InChIKey | FFWOKTFYGVYKIR-UHFFFAOYSA-N |
| SMILES | C1(O)=C2C(C(=O)C3=C(C2=O)C(O)=CC(C)=C3)=CC(OC)=C1 |
| LogP | 5.078 (est) |
| CAS DataBase Reference | 521-61-9(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26 |
| WGK Germany | 3 |
| RTECS | CB6720000 |
| F | 10 |
| HS Code | 29146990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |
Emodin-3-methyl ether Usage And Synthesis
| Chemical Properties | Yellow Solid |
| Uses | antibacterial, cathartic |
| Uses | A natural anthraquinone derivative, on the infection process of Blumeria graminis on wheat. Physcion is one of the important active ingredients of ethanol extract from the roots of Chinese rhubarb (Rheum officinale) for controlling powdery mildew. |
| Definition | ChEBI: A dihydroxyanthraquinone that is 9,10-anthraquinone bearing hydroxy substituents at positions 1 and 8, a methoxy group at position 3, and a methyl group at position 6. |
| Biological Activity | Anthraquinone-derivative found in medicinal herbs. |
| in vivo | Physcion (20 or 40 mg/kg, p.o., once daily for 7 days) exerts neuroprotective effects by inhibiting the TLR4/NF-κB signaling pathway in an ischemia-reperfusion-induced SD rat model[3].Physcion (4 or 9 mg/kg, p.o., once daily for 6 days) effectively alleviates infection symptoms caused by Chlamydia psittaci 6 BCE in SPF chickens[4]. | Animal Model: | Ischemia-reperfusion (I/R)-induced focal cerebral ischemia model in SD rats[3] | | Dosage: | 20 or 40 mg/kg | | Administration: | Oral gavage (p.o.), once daily for 7 days | | Result: | Significantly reduced the brain water content and the NSS (Neurological Severity Score) in I/R rats, compared to I/R group.Obviously decreased areas of infarction compared to I/R group.| Animal Model: | SPF chickens (21 days old) infected intra-laryngeally with Chlamydia psittaci 6 BCE[4] | | Dosage: | 4 or 9 mg/kg | | Administration: | Oral gavage (p.o.), once daily for 6 days | | Result: | Dose-dependently alleviated respiratory distress, air sac and lung lesions, and bacterial load in the spleen in infected chickens. |
| | IC 50 | TLR4 |
Emodin-3-methyl ether Preparation Products And Raw materials| Raw materials | 3,4-Dihydro-3,8,9-trihydroxy-3-methyl-6-methoxyanthracene-1(2H)-one-->9,10-Anthracenedione, 1-hydroxy-6,8-dimethoxy-3-methyl--->[9,9'-Bianthracene]-10,10'(9H,9'H)-dione, 4,4',5,5'-tetrahydroxy-2,2'-dimethoxy-7,7'-dimethyl--->physcion diglucoside-->PHYSCIONANTHRONEB-->7-METHYL-JUGLONE-->Emodin |
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