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化合物简介
Birinapant is a bivalent SMAC mimetic compound antagonist of TRAF2 associated cIAP1 and cIAP2.
基本信息
CAS:1260251-31-7
中文别名:
英文别名:N-{(1S)-[(2R)-(6,6\'-difluoro-3\'-{(4S)-hydroxy-1-[(2S)-[(2S)-methylaminopropionylamino]butyryl]pyrrolidin-(2R)-2-ylmethyl}-1H,1 \'H-[2,2\']biindolyl-3-ylmethyl)-(4S)-hydroxypyrrolidine-1-carbonyl]propyl}-(2S)-methylaminopropionamide;Birinapant [USAN];Birinapant (USAN/INN);(2S)-N-[(2S)-1-[(2R,4S)-2-[[6-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-hydroxy-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanam;
分子式:C42H55F2N7O6
分子量:791.926
精确质量:791.418
Psa:174.1
Logp:4.0611
中文别名:
英文别名:N-{(1S)-[(2R)-(6,6\'-difluoro-3\'-{(4S)-hydroxy-1-[(2S)-[(2S)-methylaminopropionylamino]butyryl]pyrrolidin-(2R)-2-ylmethyl}-1H,1 \'H-[2,2\']biindolyl-3-ylmethyl)-(4S)-hydroxypyrrolidine-1-carbonyl]propyl}-(2S)-methylaminopropionamide;Birinapant [USAN];Birinapant (USAN/INN);(2S)-N-[(2S)-1-[(2R,4S)-2-[[6-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-hydroxy-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanam;
分子式:C42H55F2N7O6
分子量:791.926
精确质量:791.418
Psa:174.1
Logp:4.0611
编号系统
UNII:6O4Z07B57R
物化性质
密度:1.3±0.1g/cm3
沸点:1090.5±65.0°Cat760mmHg
闪点:613.3±34.3°C
蒸汽压:0.0±0.3mmHgat25°C
折射率:1.628
储存条件:室温
沸点:1090.5±65.0°Cat760mmHg
闪点:613.3±34.3°C
蒸汽压:0.0±0.3mmHgat25°C
折射率:1.628
储存条件:室温
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
