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化合物简介
Rucaparib (AG 014699) is a PARP inhibitor being investigated as a potential anti-cancer agent. Rucaparib is the first-in-class clinical candidate targeting the DNA repair enzyme poly-ADPribose polymerase-1 (PARP-1), and was first synthesised as part of a collaboration between scientists working in Northern Institute of Cancer Research and Medical School of Newcastle University, alongside Agouron Pharmaceuticals (San Diego). It is being developed by Clovis Oncology.
基本信息
CAS:283173-50-2
中文别名:8-氟-1,3,4,5-四氢-2-[4-[(甲基氨基)甲基]苯基]-6H-吡咯并[4,3,2-EF][2]苯并氮杂卓-6-酮;
英文别名:8-fluoro-2-(4-methylaminomethyl-phenyl)-1,3,4,5-tetrahydro-azepino[5,4,3-cd]indol-6-one;6H-Pyrrolo[4,3,2-ef][2]benzazepin-6-one,8-fluoro-1,3,4,5-tetrahydro-2-[4-[(methylamino)methyl]phenyl];Kinome_3180;RUCAPARIB;UNII-8237F3U7EH;8-fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one;
分子式:C19H18FN3O
分子量:323.364
精确质量:323.143
Psa:56.92
Logp:3.699
中文别名:8-氟-1,3,4,5-四氢-2-[4-[(甲基氨基)甲基]苯基]-6H-吡咯并[4,3,2-EF][2]苯并氮杂卓-6-酮;
英文别名:8-fluoro-2-(4-methylaminomethyl-phenyl)-1,3,4,5-tetrahydro-azepino[5,4,3-cd]indol-6-one;6H-Pyrrolo[4,3,2-ef][2]benzazepin-6-one,8-fluoro-1,3,4,5-tetrahydro-2-[4-[(methylamino)methyl]phenyl];Kinome_3180;RUCAPARIB;UNII-8237F3U7EH;8-fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one;
分子式:C19H18FN3O
分子量:323.364
精确质量:323.143
Psa:56.92
Logp:3.699
编号系统
UNII:8237F3U7EH
物化性质
密度:1.281 g/cm3
沸点:625.248ºC at 760 mmHg
闪点:331.938ºC
沸点:625.248ºC at 760 mmHg
闪点:331.938ºC
安全信息
海关编码:2933990090
生产方法及用途
合成路线
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参考文献
US2006/63926 A1, ; Page/Page column 6; 11 ;
上游原料
下游产品
图谱
13C NMR : Predict
1H NMR : Predict






