AEEA-AEEA-tBu/3,6,12,15-Tetraoxa-9-azaheptadecanoic acid,17-amino-10-oxo-,1,1-dimethylethyl esterCAS#: 2409545-30-6; 凯望编码 (ChemWhat Code): 1417362
Identification
| 英文名 | AEEA-AEEA-tBu/3,6,12,15-Tetraoxa-9-azaheptadecanoic acid,17-amino-10-oxo-,1,1-dimethylethyl ester |
| 分子结构 |  |
| CAS编号 | 2409545-30-6 |
| 分子式 | C16H32N2O7 |
| 分子量 | 364.43 |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| EP3498694 | 2019 | |
| WO2019/126730 | 2019 | |
| US2018/230157 | 2018 |
Physical Data
| Appearance | Powder |
Spectra
Route of Synthesis (ROS)
| Conditions | Yield |
| With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; diisopropylamine In dichloromethane at 0 – 20℃; for 6h; Experimental Procedure 2.2-1.3 Step 3: Preparation of Compound II-1e Compound II-1d (305 mg, 830 umol)II-1a 8- (Fluorenylmethoxycarbonyl-amino) -3,6-dioxaotanoic acid (478 mg, 1.24 mmol)Dichloromethane (20 mL)After melting in, At 0 to room temperatureI- (3-dimethylaminopropyl) -3-ethylcarbodiimide hydrochloride (318 mg, 1.66 mmol), hydroxybenzotriazole (224 mg, 1.66 mmol) and diisopropylamine (423 μl, 2.49 mmol) Was added. The reaction mixture was stirred at room temperature for 6 hours. After completion of the reaction and extracted with distilled water and brine, the organic layer was dried over anhydrous sodium sulfate and concentrated under reduced pressure. The concentrated residue was purified by silica gel column chromatography (dichloromethane: methanol = 10: 1 volume ratio) to give the title compound II-1e (570 mg, 92%) as a yellow oil. | 92% |
Safety and Hazards
No data availabile
Other Data
| Storage | Store at 2~8° for long time, away from light |
| Shelf Life | 1 year |
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 364.439 |
| logP | -1.151 |
| HBA | 9 |
| HBD | 2 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 118.34 |
| Rotatable Bond (RotB) | 18 |
| Matching Veber Rules | 1 |
| Use Pattern |
| AEEA-AEEA-tBu/3,6,12,15-Tetraoxa-9-azaheptadecanoic acid,17-amino-10-oxo-,1,1-dimethylethyl ester CAS#: 2409545-30-6 as an intermediate in the synthesis of semaglutide. And 3,6,12,15-Tetraoxa-9-azaheptadecanoic acid,17-amino-10-oxo-,1,1-dimethylethyl ester likely plays a crucial role in the production process. Semaglutide is a glucagon-like peptide-1 (GLP-1) receptor agonist used in the treatment of type 2 diabetes. |
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| Caming Pharmaceutical Limited | <a href="http://www.caming.com/aeea-aeea-tbu-361215-tetraoxa-9-azaheptadecanoic-acid17-amino-10-oxo-11-dimethylethyl-ester-cas-2409545-30-6/ |
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