(3AR,4R,5R,6AS)-六氢-5-羟基-4-[(1E,3R)-3-羟基-4-(3-三氟甲基)苯氧基-1-丁烯基]-2H-环戊并[B]呋喃-2-酮结构式
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常用名 | (3AR,4R,5R,6AS)-六氢-5-羟基-4-[(1E,3R)-3-羟基-4-(3-三氟甲基)苯氧基-1-丁烯基]-2H-环戊并[B]呋喃-2-酮 | 英文名 | Fluprostenol Lactone Diol |
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| CAS号 | 53872-60-9 | 分子量 | 372.336 | |
| 密度 | 1.4±0.1 g/cm3 | 沸点 | 520.6±50.0 °C at 760 mmHg | |
| 分子式 | C18H19F3O5 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 268.6±30.1 °C |
| 中文名 | (+)-(3aR,4R,5r,6aS)-六氢-5-羟基-4-[(1E,3R)-3-羟基-4-(3-三氟甲基)苯氧基-1-丁烯基]-2H-环戊并[b]呋喃-2-酮 |
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| 英文名 | (3aR,4R,5R,6aS)-5-hydroxy-4-[(3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one |
| 中文别名 | (+)-(3AR,4R,5R,6AS)-六氢-5-羟基-4-[(1E,3R)-3-羟基-4-(3-三氟甲基)苯氧基-1-丁烯基]-2H-环戊并[B]呋喃-2-酮 | 曲沃前列素中间体 |
| 英文别名 | 更多 |
| 密度 | 1.4±0.1 g/cm3 |
|---|---|
| 沸点 | 520.6±50.0 °C at 760 mmHg |
| 分子式 | C18H19F3O5 |
| 分子量 | 372.336 |
| 闪点 | 268.6±30.1 °C |
| 精确质量 | 372.118469 |
| PSA | 75.99000 |
| LogP | 1.05 |
| InChIKey | XYSPYIAAWRUEML-UHFFFAOYSA-N |
| SMILES | O=C1CC2C(CC(O)C2C=CC(O)COc2cccc(C(F)(F)F)c2)O1 |
| 蒸汽压 | 0.0±1.4 mmHg at 25°C |
| 折射率 | 1.583 |
| 储存条件 | -20°C |
| 危害码 (欧洲) | Xn |
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(3AR,4R,5R,6AS)... 53872-60-9 |
| 文献:WO2011/46569 A1, ; Page/Page column 67-68 ; |
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(3AR,4R,5R,6AS)... 53872-60-9 |
| 文献:Journal of Medicinal Chemistry, , vol. 24, # 11 p. 1353 - 1359 |
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(3AR,4R,5R,6AS)... 53872-60-9 |
| 文献:Journal of Medicinal Chemistry, , vol. 24, # 11 p. 1353 - 1359 |
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~%
(3AR,4R,5R,6AS)... 53872-60-9 |
| 文献:Journal of Medicinal Chemistry, , vol. 24, # 11 p. 1353 - 1359 |
|
~%
(3AR,4R,5R,6AS)... 53872-60-9 |
| 文献:Journal of Medicinal Chemistry, , vol. 24, # 11 p. 1353 - 1359 |
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(3AR,4R,5R,6AS)... 53872-60-9 |
| 文献:WO2013/164729 A1, ; |
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实验名称:Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:HCMV UL50
External Id:HMS1262
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实验名称:A screen for small molecules that modulate mitochondrial supercomplex formation
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:N/A
External Id:HMS1482
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实验名称:Cell-based high throughput primary assay to identify activators of GPR151
来源:The Scripps Research Institute Molecular Screening Center
靶标:RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id:GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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实验名称:AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
来源:The Scripps Research Institute Molecular Screening Center
External Id:MITF_INH_Alpha_1536_1X%INH PRUN
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实验名称:Stabilization of p53 in human papillomavirus-positive cells
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:Cellular tumor antigen p53
External Id:HMS1485
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实验名称:Discovering small molecule activators of G protein-gated inwardly-rectifying potassiu...
来源:15621
靶标:G protein-activated inward rectifier potassium channel 2
External Id:VANDERBILT_HTS_GIRK2_MPD
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| Travoprost Intermediate |
| (3aR,4R,5R,6aS)-5-Hydroxy-4-{(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-en-1-yl}hexahydro-2H-cyclopenta[b]furan-2-one |
| (3aR,4R,5R,6aS)-5-Hydroxy-4-((R,E)-3-hydroxy-4-(3-(trifluoromethyl)phenoxy)but-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-2-one |
| (3aR,4R,5R,6aS)-5-hydroxy-4-((R,E)-3-hydroxy-4-(3-(trifluoromethyl)phenoxy)but-1-enyl)hexahydro-2H-cyclopenta[b]furan-2-one |
| (3aR,4R,5R,6aS)-5-Hydroxy-4-{(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl}hexahydro-2H-cyclopenta[b]furan-2-one |
| (3aS,4R,5R,6aR)-5-Hydroxy-4-{(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl}hexahydro-2H-cyclopenta[b]furan-2-one |