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(+)-JQ-1; (S)-(+)-2-(4-(4-氯苯基)-2,3,9-三甲基-6H-噻吩并[3,2-f][1,2,4]三唑并[4,3-a][1,4]二氮杂卓-6-基)乙酸叔丁酯
(S)-tert-butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate
化合物简介
JQ1 is a thienotriazolodiazepine and a potent inhibitor of the BET family of bromodomain proteins which include BRD2, BRD3, BRD4, and the testis-specific protein BRDT in mammals. BET inhibitors structurally similar to JQ1 are being tested in clinical trials for a variety of cancers including NUT midline carcinoma. It was developed by the James Bradner laboratory at Brigham and Women's Hospital and named after chemist Jun Qi. The chemical structure was inspired by patent of similar BET inhibitors by Mitsubishi Tanabe Pharma [WO/2009/084693]. Structurally it is related to benzodiazepines. While widely used in laboratory applications, JQ1 is not itself being used in human clinical trials because it has a short half life.
基本信息
CAS：1268524-70-4
中文别名：
英文别名：UNII-1MRH0IMX0W;4flp;3mxf;
分子式：C23H25ClN4O2S
分子量：456.988
精确质量：456.139
Psa：97.61
Logp：4.9669
中文别名：
英文别名：UNII-1MRH0IMX0W;4flp;3mxf;
分子式：C23H25ClN4O2S
分子量：456.988
精确质量：456.139
Psa：97.61
Logp：4.9669
编号系统
UNII：1MRH0IMX0W
物化性质
密度：1.3±0.1g/cm3
沸点：610.4±65.0°Cat760mmHg
闪点：322.9±34.3°C
外观性状：whitetobeige
蒸汽压：0.0±1.7mmHgat25°C
折射率：1.657
储存条件：2-8°C
水溶解性：DMSO:soluble20mg/mL,clear
沸点：610.4±65.0°Cat760mmHg
闪点：322.9±34.3°C
外观性状：whitetobeige
蒸汽压：0.0±1.7mmHgat25°C
折射率：1.657
储存条件：2-8°C
水溶解性：DMSO:soluble20mg/mL,clear
安全信息
生产方法及用途
合成路线
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参考文献
WO2011/143657 A1, ; Page/Page column 82-83 ;
上游原料
下游产品
图谱
13C NMR : Predict
1H NMR : Predict
