1300031-52-0
中文名称
GSK1324726A (I-BET726)
英文名称
GSK1324726A (I-BET726)
CAS
1300031-52-0
分子式
C25H23ClN2O3
分子量
434.915
MOL 文件
1300031-52-0.mol
更新日期
2024/12/23 09:09:21
1300031-52-0 结构式
基本信息
中文别名
化合物GSK1324726ABET蛋白抑制剂(GSK1324726A)
4-((2S,4R)-1-乙酰基-4-((4-氯苯基)氨基)-2-甲基-1,2,3,4-四氢喹啉-6-基)苯甲酸
4-[(2S,4R)-1-乙酰基-4-[(4-氯苯基)氨基]-2-甲基-1,2,3,4-四氢-6-喹啉基]苯甲酸
英文别名
CS-1736I-BET726
GSK1324726A
I-BET726
I-BET 726
GSK1324726A (I-BET726)
GSK1324726A (I-BET726) USP/EP/BP
4-(cis-1-Acetyl-4-((4-chlorophenyl)amino)-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)benzoic acid
4-((2S,4R)-1-acetyl-4-(4-chlorophenylamino)-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)benzoic acid
4-[(2S,4R)-1-Acetyl-4-[(4-chlorophenyl)amino]-1,2,3,4-tetrahydro-2-methyl-6-quinolinyl]benzoic acid
4-[(2S,4R)-1-Acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydro-6-quinolinyl]benzoic acid
所属类别
生物化工：Epigenetic Reader Domain 抑制剂物理化学性质
沸点707.3±60.0 °C(Predicted)
密度1.304±0.06 g/cm3(Predicted)
储存条件-20°C储存
溶解度insoluble in H2O; ≥1.87 mg/mL in EtOH with gentle warming and ultrasonic; ≥17.7 mg/mL in DMSO
酸度系数(pKa)4.20±0.10(Predicted)
形态粉末
颜色White to light yellow
InChIKeyFAWSUKOIROHXAP-NPMXOYFQSA-N
SMILESC(O)(=O)C1=CC=C(C2C=CC3=C(C=2)[C@H](NC2=CC=C(Cl)C=C2)C[C@H](C)N3C(C)=O)C=C1
常见问题列表
生物活性
GSK1324726A（I-BET726）是BET家族蛋白的高选择性抑制剂，对BRD2, BRD3, 和BRD4的IC50分别为41 nM, 31 nM,和22 nM。体外研究
In neuroblastoma cell lines, GSK1324726A inhibits cell growth and induces cytotoxicity. GSK1324726A also modulates expression of genes involved in apoptosis, signaling, and MYC-family pathways, including the direct suppression of BCL2 and MYCN.体内研究
In the mouse SK–N-AS and CHP-212 models, GSK1324726A (15 mg/kg p.o.) results in tumor growth inhibition and down-regulation MYCN and BCL2 expression. In a mouse septic shock model, GSK1324726A (10 mg/kg i.v.) shows potent anti-inflammatory effects, and prevents death of diseased animals.