Dydrogesterone CAS#: 152-62-5; 凯望编码 (ChemWhat Code): 84101
Identification
| 英文名 | Dydrogesterone |
| IUPAC Name | (8S,9R,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one |
| 分子结构 |  |
| CAS编号 | 152-62-5 |
| EINECS Number | No data available |
| MDL Number | No data available |
| Beilstein Registry Number | No data available |
| 别名 | dydrogesteroneDydrogesteroneDuphaston9β,10α-pregna-4,6-diene-3,20-dionepregna-4,6-diene-3,20-dione9β,10α-Pregna-4,6-dien-3,20-dion6-Dehydro-9β,10α-progesteron |
| 分子式 | C21H28O2 |
| 分子量 | 312.446 |
| InChI | InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19+,20+,21+/m0/s1 |
| InChI Key | JGMOKGBVKVMRFX-HQZYFCCVSA-N |
| Canonical SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@H]2C=CC4=CC(=O)CC[C@@]34C)C |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| WO2013/178782 | ALLOSTERIC INHIBITORS OF NS3 PROTEASE FROM HEPATITIS C VIRUS | 2013 |
Physical Data
| Appearance | White or almost white crγstalline 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) |
| 168 – 169 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) |
| Chemical shifts | 1H | chloroform-d1 |
| Chemical shifts | 13C | d(4)-methanol |
| Description (Mass Spectrometry) |
| electrospray ionisation (ESI), high resolution mass spectrometry (HRMS), spectrum |
Route of Synthesis (ROS)
| Conditions | Yield |
| With hydrogen bromide; acetic acid at 0℃; Reagent/catalyst; | 86.3% |
| With hydrogenchloride In tetrahydrofuran; water at -5℃; Solvent; Temperature; | 85% |
| With hydrogenchloride In water; isopropyl alcohol at 10℃; for 2.5h; Reagent/catalyst; Solvent; | 70% |
| With hydrogenchloride In isopropyl alcohol |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
| For more detailed information, please visit ECHA C&L website |
| Source: European Chemicals Agency (ECHA) License Note: Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: “Source: European Chemicals Agency, http://echa.europa.eu/”. Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page. License URL: https://echa.europa.eu/web/guest/legal-notice Record Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446 Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | No data available |
| Storage | Preserve in well-closed containers. |
| Shelf Life | 2 years |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 312.452 |
| logP | 4.708 |
| HBA | 2 |
| HBD | 0 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 34.14 |
| Rotatable Bond (RotB) | 1 |
| Matching Veber Rules | 2 |
| Use Pattern |
| Dydrogesterone CAS#: 152-62-5 inhibiting STAT5-dependent gene expression in combination with chemotherapeutic agent |
| Dydrogesterone CAS#: 152-62-5 inhibiting STAT5-dependent transcriptional activity in combination with chemotherapeutic agent |
| Dydrogesterone CAS#: 152-62-5 mineralcorticoid receptor antagonist |
| Dydrogesterone CAS#: 152-62-5 treating or preventing B-cell lymphoma |
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认证生产商 | |
| Caming Pharmaceutical Ltd | http://www.caming.com/ |
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其他供应商 | |
| Watson International Limited | 访问Watson官网 |
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