N-[4-[(3-溴苯基)氨基]-6-喹唑啉]-2-丙酰胺结构式
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常用名 | N-[4-[(3-溴苯基)氨基]-6-喹唑啉]-2-丙酰胺 | 英文名 | PD168393 |
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| CAS号 | 194423-15-9 | 分子量 | 369.215 | |
| 密度 | 1.6±0.1 g/cm3 | 沸点 | 571.1±50.0 °C at 760 mmHg | |
| 分子式 | C17H13BrN4O | 熔点 | 279℃ | |
| MSDS | 美版 | 闪点 | 299.2±30.1 °C |
用途PD168393是一个强的,不可逆转的EGFR抑制剂,IC50是0.7 nM. |
| 中文名 | N-[4-[(3-溴苯基)氨基]-6-喹唑啉]-2-丙酰胺 |
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| 英文名 | N-[4-(3-bromoanilino)quinazolin-6-yl]prop-2-enamide |
| 英文别名 | 更多 |
| 描述 | PD168393是一个强的,不可逆转的EGFR抑制剂,IC50是0.7 nM. |
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| 相关类别 | |
| 靶点 |
EGFR:0.7 nM (IC50) |
| 参考文献 |
| 密度 | 1.6±0.1 g/cm3 |
|---|---|
| 沸点 | 571.1±50.0 °C at 760 mmHg |
| 熔点 | 279℃ |
| 分子式 | C17H13BrN4O |
| 分子量 | 369.215 |
| 闪点 | 299.2±30.1 °C |
| 精确质量 | 368.027252 |
| PSA | 70.40000 |
| LogP | 3.72 |
| InChIKey | HTUBKQUPEREOGA-UHFFFAOYSA-N |
| SMILES | C=CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |
| 蒸汽压 | 0.0±1.6 mmHg at 25°C |
| 折射率 | 1.744 |
| 储存条件 | -20°C |
| 危险品运输编码 | NONH for all modes of transport |
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~43%
N-[4-[(3-溴苯基)氨基... 194423-15-9 |
| 文献:Warner-Lambert Company Patent: US6344459 B1, 2002 ; Location in patent: Page column 48 ; US 6344459 B1 |
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~84%
N-[4-[(3-溴苯基)氨基... 194423-15-9 |
| 文献:Wyeth Patent: EP1100788 B1, 2005 ; Location in patent: Page/Page column 7 ; |
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~56%
N-[4-[(3-溴苯基)氨基... 194423-15-9 |
| 文献:Wyeth Patent: EP1100788 B1, 2005 ; Location in patent: Page/Page column 9-10 ; |
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~49%
N-[4-[(3-溴苯基)氨基... 194423-15-9 |
| 文献:Wyeth Patent: EP1100788 B1, 2005 ; Location in patent: Page/Page column 8 ; |
|
~11%
N-[4-[(3-溴苯基)氨基... 194423-15-9 |
| 文献:Pawar, Vijaykumar G.; Sos, Martin L.; Rode, Haridas B.; Rabiller, Matthias; Heynck, Stefanie; Van Otterlo, Willem A. L.; Thomas, Roman K.; Rauh, Daniel Journal of Medicinal Chemistry, 2010 , vol. 53, # 7 p. 2892 - 2901 |
|
~%
N-[4-[(3-溴苯基)氨基... 194423-15-9 |
| 文献:American Cyanamid Company Patent: EP787722 A1, 1997 ; Title/Abstract Full Text Show Details Wyeth Holdings Corporation Patent: EP980244 B1, 2003 ; |
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~%
N-[4-[(3-溴苯基)氨基... 194423-15-9 |
| 文献:Tsou; Mamuya; Johnson; Reich; Gruber; Ye; Nilakantan; Shen; Discafani; DeBlanc; Davis; Koehn; Greenberger; Wang; Wissner Journal of Medicinal Chemistry, 2001 , vol. 44, # 17 p. 2719 - 2734 |
|
~%
N-[4-[(3-溴苯基)氨基... 194423-15-9 |
| 文献:Tsou; Mamuya; Johnson; Reich; Gruber; Ye; Nilakantan; Shen; Discafani; DeBlanc; Davis; Koehn; Greenberger; Wang; Wissner Journal of Medicinal Chemistry, 2001 , vol. 44, # 17 p. 2719 - 2734 |
| N-[4-[(3-溴苯基)氨基]-6-喹唑啉]-2-丙酰胺上游产品 5 | |
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| N-[4-[(3-溴苯基)氨基]-6-喹唑啉]-2-丙酰胺下游产品 0 | |
| 2-Propenamide (N-[4-[(3-bromophenyl)amino]-6-quinazolinyl] |
| nchembio866-comp2 |
| pd 168393 |
| 2-Propenamide, N-[4-[(3-bromophenyl)amino]-6-quinazolinyl]- |
| N-{4-[(3-Bromophenyl)amino]-6-quinazolinyl}acrylamide |
| PD168393 |