356058-42-9
356058-42-9 structure
- Name: 1H-Cyclopentapyrimidine-1-acetic acid, 2-[[(4-fluorophenyl)Methyl]thio]-4,5,6,7-tetrahydro-4-oxo-
- Chemical Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]acetic acid
- CAS Number: 356058-42-9
- Molecular Formula: C16H15FN2O3S
- Molecular Weight: 334.365
- Create Date: 2016-08-25 08:10:27
- Modify Date: 2024-01-31 21:33:04
| Name | 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]acetic acid |
|---|---|
| Synonyms |
(2-{[(4-fluorophenyl)methyl]thio}-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl)acetic acid
{2-[(4-Fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl}acetic acid 1H-Cyclopenta[d]pyrimidine-1-acetic acid, 2-[[(4-fluorophenyl)methyl]thio]-4,5,6,7-tetrahydro-4-oxo- QC-5139 2-(2-((4-fluorobenzyl)thio)-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl)acetic acid 2-[2-(4-fluorobenzylthio)-5,6-trimethylene-4-oxo-4H-pyrimidin-1-yl]acetic acid |
| Density | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 542.3±60.0 °C at 760 mmHg |
| Molecular Formula | C16H15FN2O3S |
| Molecular Weight | 334.365 |
| Flash Point | 281.8±32.9 °C |
| Exact Mass | 334.078735 |
| PSA | 97.49000 |
| LogP | 2.71 |
| Vapour Pressure | 0.0±1.5 mmHg at 25°C |
| Index of Refraction | 1.672 |
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~94%
356058-42-9 |
| Literature: GLAXO GROUP LIMITED; CARDWELL, Kevin, Stuart; CRAWFORD, Claire, Frances; DAVIES, Suzanne, Helen; WADE, Charles, Edward Patent: WO2011/146494 A1, 2011 ; Location in patent: Page/Page column 11 ; |
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356058-42-9 |
| Literature: Shanghai Institute of Materia Medica, Chinese Academy of Sciences; SHEN, Jianhua; WANG, Yiping; WANG, Kai Patent: EP2725024 A1, 2014 ; |
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356058-42-9 |
| Literature: Blackie, Josie A.; Bloomer, Jackie C.; Brown, Murray J. B.; Cheng, Hung-Yuan; Hammond, Beverley; Hickey, Deirdre M. B.; Ife, Robert J.; Leach, Colin A.; Lewis, V. Ann; Macphee, Colin H.; Milliner, Kevin J.; Moores, Kitty E.; Pinto, Ivan L.; Smith, Stephen A.; Stansfield, Ian G.; Stanway, Steven J.; Taylor, Maxine A.; Theobald, Colin J. Bioorganic and Medicinal Chemistry Letters, 2003 , vol. 13, # 6 p. 1067 - 1070 |
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356058-42-9 |
| Literature: Shanghai Institute of Materia Medica, Chinese Academy of Sciences; SHEN, Jianhua; WANG, Yiping; WANG, Kai Patent: EP2725024 A1, 2014 ; |
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356058-42-9 |
| Literature: Nagano, Joseph M.G.; Hsu, Ku-Lung; Whitby, Landon R.; Niphakis, Micah J.; Speers, Anna E.; Brown, Steven J.; Spicer, Timothy; Fernandez-Vega, Virneliz; Ferguson, Jill; Hodder, Peter; Srinivasan, Prabhavathi; Gonzalez, Tara D.; Rosen, Hugh; Bahnson, Brian J.; Cravatt, Benjamin F. Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 3 p. 839 - 843 |
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356058-42-9 |
| Literature: Nagano, Joseph M.G.; Hsu, Ku-Lung; Whitby, Landon R.; Niphakis, Micah J.; Speers, Anna E.; Brown, Steven J.; Spicer, Timothy; Fernandez-Vega, Virneliz; Ferguson, Jill; Hodder, Peter; Srinivasan, Prabhavathi; Gonzalez, Tara D.; Rosen, Hugh; Bahnson, Brian J.; Cravatt, Benjamin F. Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 3 p. 839 - 843 |
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356058-42-9 |
| Literature: Shanghai Institute of Materia Medica, Chinese Academy of Sciences; SHEN, Jianhua; WANG, Yiping; WANG, Kai Patent: EP2725024 A1, 2014 ; |
| Precursor 8 | |
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| DownStream 0 | |