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化合物简介
Ceritinib (INN, trade name Zykadia) is a drug for the treatment of a specific type of lung cancer. It is an anaplastic lymphoma kinase (ALK) inhibitor. It was developed by Novartis. It was approved in April 2014 by the Food and Drug Administration for the treatment of ALK-positive metastatic non-small cell lung cancer (NSCLC) in patients that failed treatment with crizotinib. It is a more effective, but more toxic, alternative to traditional platinum-based chemotherapies. Ceritinib was found at physiological concentrations to inhibit ALK, insulin-like growth factor 1 receptor (IGF-1R), and ROS1.
基本信息
CAS:1032900-25-6
中文别名:5-氯-N2-(2-异丙氧基-5-甲基-4-(哌啶-4-基)苯基)-N4-(2-(异丙基磺酰基)苯基)嘧啶-2,4-二胺;
英文别名:CS-1406;LDK378;5-chloro-N2-(2-isopropoxy-5-methyl-4-piperidin-4-ylphenyl)-N4-[2-(isopropylsulfonyl)phenyl]-pyrimidine-2,4-diamine;Ceritinib (LDK378);5-chloro-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-N2-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N4-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine;S7083,LDK 378;LDK378||LDK-378;LDK 378;QC-5183;
分子式:C28H36ClN5O3S
分子量:558.135
精确质量:557.223
Psa:116.85
Logp:7.2664
中文别名:5-氯-N2-(2-异丙氧基-5-甲基-4-(哌啶-4-基)苯基)-N4-(2-(异丙基磺酰基)苯基)嘧啶-2,4-二胺;
英文别名:CS-1406;LDK378;5-chloro-N2-(2-isopropoxy-5-methyl-4-piperidin-4-ylphenyl)-N4-[2-(isopropylsulfonyl)phenyl]-pyrimidine-2,4-diamine;Ceritinib (LDK378);5-chloro-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-N2-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N4-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine;S7083,LDK 378;LDK378||LDK-378;LDK 378;QC-5183;
分子式:C28H36ClN5O3S
分子量:558.135
精确质量:557.223
Psa:116.85
Logp:7.2664
编号系统
UNII:K418KG2GET
物化性质
密度:1.3±0.1g/cm3
沸点:720.7±70.0°Cat760mmHg
闪点:389.6±35.7°C
蒸汽压:0.0±2.3mmHgat25°C
折射率:1.595
储存条件:室温,干燥,密封
沸点:720.7±70.0°Cat760mmHg
闪点:389.6±35.7°C
蒸汽压:0.0±2.3mmHgat25°C
折射率:1.595
储存条件:室温,干燥,密封
安全信息
生产方法及用途
合成路线
上游原料
下游产品
图谱
1H NMR : Predict

13C NMR : Predict
