Icariin CAS #: 118525-40-9; 凯望编码 (ChemWhat Code): 1410980
Identification
| 英文名 | Icariin |
| IUPAC Name | 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one |
| 分子结构 |  |
| CAS编号 | 118525-40-9 |
| EINECS Number | No available data |
| MDL Number | MFCD22422519 |
| Beilstein Registry Number | No available data |
| 别名 | icaritinanhydroicaritin3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-oneicariinAHIICT |
| 分子式 | C21H20O6 |
| 分子量 | 368.386 |
| InChI | InChI=1S/C21H20O6/c1-11(2)4-9-14-15(22)10-16(23)17-18(24)19(25)20(27-21(14)17)12-5-7-13(26-3)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3 |
| InChI Key | TUUXBSASAQJECY-UHFFFAOYSA-N |
| Canonical SMILES | CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)O)C |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| WO2022/104153 | COMPOUNDS AND METHODS FOR TREATING VIRAL INFECTIONS | 2022 |
| CN113180043 | Application of chitin hydrolase inhibitor in regulation of insect growth activity | 2021 |
| CN113024602 | Phosphate ester derivative of herba epimedii as well as preparation method and application of phosphate ester derivative | 2021 |
Physical Data
| Appearance | Yellow needle crystal or yellow crystalline powder |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
| Melting Point, °C | Solvent (Melting Point) |
| 178 – 180 | |
| 253 | |
| 207 – 208 | methanol |
| 231 – 232 | methanol |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts, Spectrum | 1H | dimethylsulfoxide-d6 | 400 |
| HMBC (Heteronuclear Multiple Bond Coherence), Spectrum | 1H, 13C | dimethylsulfoxide-d6 | No data available |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) | Temperature (IR Spectroscopy), °C |
| Bands | potassium bromide | 27 |
| Bands | potassium bromide | 14.85 – 54.85 |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Comment (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm | Ext./Abs. Coefficient, l·mol-1cm-1 |
| Spectrum | methanol | No data available | 271, 321, 372 | No available data |
| Absorption maxima | methanol | No data available | 368 | No available data |
Route of Synthesis (ROS)
| Conditions | Yield |
| With sulfuric acid; glacial acetic acid at 90℃; for 6h; | 92% |
| With hydrogen; triethylamine In ethanol; water at 110℃; under 30003 Torr; for 24h; Autoclave; | 98% |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
Other Data
| Transportation | Store at room temperature, sealed and away from light |
| HS Code | No data available |
| Storage | Store at 2-8℃ for long time, Sealed and away from light |
| Shelf Life | 1 year |
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 368.386 |
| logP | 4.751 |
| HBA | 2 |
| HBD | 3 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 96.22 |
| Rotatable Bond (RotB) | 4 |
| Matching Veber Rules | 2 |
| Bioactivity |
| Pharmacological Data |
| 1 of 3 | Comment (Pharmacological Data) | Bioactivities present |
| Reference | Current Patent Assignee: AMOREPACIFIC CORP. – WO2007/64085, 2007, A1 | |
| 2 of 3 | Comment (Pharmacological Data) | Bioactivities present |
| Reference | Current Patent Assignee: BEIJING SHENOGEN PHARMA GROUP – WO2008/52005, 2008, A2 | |
| 3 of 3 | Comment (Pharmacological Data) | Bioactivities present |
| Reference | Current Patent Assignee: LUNAN PHARMACEUTICAL GROUP CO LTD – US2016/250243, 2016, A1 |
| Use Pattern |
| Icariin CAS #：118525-40-9 is used Pharmaceuticals and prevent thrombocytopenia,preventing bone marrow suppression |
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认证生产商 | |
| Ulcho Biochemical Ltd | https://www.ulcho.com/ |
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