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化合物简介
Brivanib alaninate (INN/USAN) also known as BMS-582664 is an investigational, anti-tumorigenic drug for oral administration. The drug is being developed by Bristol-Myers Squibb for the treatment of hepatocellular carcinoma or HCC (also called malignant hepatoma), the most common type of liver cancer.
基本信息
CAS：649735-63-7
中文别名：丙氨酸布立尼布;1-[[4-[(4-氟-2-甲基-1H-吲哚-5-基)氧基]-5-甲基吡咯并[2,1-F][1,2,4]三嗪-6-基]氧基]-2-丙醇 L-丙氨酸酯;
英文别名：BMS-582664;[(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] (2S)-2-aminopropanoate;L-Alanine, (1R)-2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxy]-1-methylethyl ester;
分子式：C22H24FN5O4
分子量：441.455
精确质量：441.181
Psa：116.76
Logp：4.1168
中文别名：丙氨酸布立尼布;1-[[4-[(4-氟-2-甲基-1H-吲哚-5-基)氧基]-5-甲基吡咯并[2,1-F][1,2,4]三嗪-6-基]氧基]-2-丙醇 L-丙氨酸酯;
英文别名：BMS-582664;[(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] (2S)-2-aminopropanoate;L-Alanine, (1R)-2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxy]-1-methylethyl ester;
分子式：C22H24FN5O4
分子量：441.455
精确质量：441.181
Psa：116.76
Logp：4.1168
编号系统
UNII：U2Y5OFN795
物化性质
外观与性状：白色至淡黄色固体
密度：1.42 g/cm3
密度：1.42 g/cm3
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
Cai, Zhen-Wei; Zhang, Yongzheng; Borzilleri, Robert M.; Qian, Ligang; Barbosa, Stephanie; Wei, Donna; Zheng, Xiaoping; Wu, Lawrence; Fan, Junying; Shi, Zhongping; Wautlet, Barri S.; Mortillo, Steve; Jeyaseelan Sr., Robert; Kukral, Daniel W.; Kamath, Amrita; Marathe, Punit; D'Arienzo, Celia; Derbin, George; Barrish, Joel C.; Robl, Jeffrey A.; Hunt, John T.; Lombardo, Louis J.; Fargnoli, Joseph; Bhide, Rajeev S. Journal of Medicinal Chemistry, 2008 , vol. 51, # 6 p. 1976 - 1980
上游原料
下游产品
图谱
1H NMR : Predict
13C NMR : Predict
