CAS: 1082949-67-4; 4-(4-(4-(4-Fluoro-3-(Trifluoromethyl)Phenyl)-1-Methyl-1H-Imidazol-2-yl)Piperidin-1-yl)-1H-Pyrazolo[3,4-D]Pyrimidine

英文名称4-(4-(4-(4-Fluoro-3-(Trifluoromethyl)Phenyl)-1-Methyl-1H-Imidazol-2-yl)Piperidin-1-yl)-1H-Pyrazolo[3,4-D]Pyrimidine
中文名称P70S6K信号转导抑制剂(LY-2584702FREEBASE)
IUPAC名称4-(4-(4-(4-fluoro-3-(trifluoromethyl)phenyl)-1-methyl-1H-imidazol-2-yl)piperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
其它别名4-[4-[4-[4-Fluoro-3-(Trifluoromethyl)Phenyl]-1-Methylimidazol-2-Yl]Piperidin-1-Yl]-1H-Pyrazolo[3,4-D]Pyrimidine; 1H-Pyrazolo(3,4-D)Pyrimidin
CAS编号1082949-67-4
MFCD编号:MFCD18633220
FDA UNII编号:I4965C6W4O
分子式:C21H19F4N7分子量:445.42
产品CID: 119670
同类组份化合物CAS1082949-68-5 (tosylate)1082949-67-4 (free base)
产品分类生物化工 → 抑制剂 → PI3K/Akt/mTOR抑制剂(PI3K/Akt/mTOR)

相似结构搜索
InChIKey: FYXRSVDHGLUMHB-UHFFFAOYSA-N
InChI=1S/C21H19F4N7/c1-31-10-17(13-2-3-16(22)15(8-13)21(23,24)25)29-19(31)12-4-6-32(7-5-12)20-14-9-28-30-18(14)26-11-27-20/h2-3,8-12H,4-7H2,1H3,(H,26,27,28,30)
计算化学: 氢键受体数9.0氢键供体数1.0可旋转键数3.0

物理性质

沸点665.3°C at 760 mmHg
密度1.54±0.1 g/cm3 (20 ºC 760 Torr),
PSA:75.52
LogP:4.3603
溶解性Soluble In DMSO (Up To 1 mg/mL) Or In DMF (Up To 3 mg/mL).
外观形态黄色固体
储存条件室温干燥保存
产品应用该化合物是P70S6K(IC50=4 NM)具有抗脉搏活动的选择性,ATP竞争抑制剂;它抑制HCT116结肠癌细胞(IC50/=0.1-0.24 MMM)中S6血清蛋白白白化反应(PS6);在U87MG GLIOBLASTOMA和HCT110 以12.5毫克/千克BID计的结肠乳癌XOGRAFT模型中表现出显著抗脉瘤效果;如果与EGFR抑制剂ER血清尼布或MTOR抑制剂EVEROLIMUS结合,则显示出协同效应.

上下游产品

tert-butyl 4-(4-(4-fluoro-3-(trifluoromethyl)phenyl)-1-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate 4-chloro-1H-pyrazolo[3,4-d]pyrimidine4-{4-[4-(4-fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-1H-pyrazolo[3,4-d]pyrimidine p-toluenesulfonate 4-{4-[4-(4-fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-1H-pyrazolo[3,4-d]pyrimidine hydr°Chloride

合成工艺路线路线简述

📜Tert-Butyl 4-(4-(4-Fluoro-3-(Trifluoromethyl)Phenyl)-1-Methyl-1H-Imidazol-2-yl)Piperidine-1-Carboxylate,4-氯-1H-吡唑并[3,4-D]嘧啶置于盐酸,三乙胺体系中,用二氯甲烷,异丙醇用作溶剂,化学反应 2.0H,以92.66%的收率获得p70S6K信号转导抑制剂(Ly-2584702Freebase)
参考文献:Wo2008/140947
标题:Wo2008/140947

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✅ COA系统入驻 | 共享模式

主要参考文献

1: Leohr JK, Luffer-Atlas D, Luo MJ, DeBrota DJ, Green C, Mabry TE, Suico JG. Serum Lipid and Protein Changes in Healthy Dyslipidemic Subjects Given a Selective Inhibitor of p70 S6 Kinase-1. J Clin Pharmacol. 2018 Apr;58(4):412-424. doi: 10.1002/jcph.1032. Epub 2017 Nov 26. doi: 10.1002/jcb.26272. Epub 2017 Aug 28. doi: 10.1371/journal.pone.0182891. eCollection 2017.
4: Estridge TB, Dey AB, Reidy C, Yu X, Zhang Y, Hartley M, Milligan PL, Jin N, Kowala MC, Leohr JK, Fretland AJ, Mabry TE, Luffer-Atlas D, Luo MJ. Identification of 4-Aminopyrazolopyrimidine Metabolite That May Contribute to the Hypolipidemic Effects of LY2584702 in Long Evans Diet-Induced Obese Rats. J Pharmacol Exp Ther. 2017 Jul;362(1):108-118. doi: 10.1124/jpet.117.240242. Epub 2017 May 2. doi: 10.1371/journal.pone.0169804. eCollection 2017.
6: Hollebecque A, Houédé N, Cohen EE, Massard C, Italiano A, Westwood P, Bumgardner W, Miller J, Brail LH, Benhadji KA, Soria JC. A phase Ib trial of LY2584702 tosylate, a p70 S6 inhibitor, in combination with erlotinib or everolimus in patients with solid tumours. Eur J Cancer. 2014 Mar;50(5):876-84. doi: 10.1016/j.ejca.2013.12.006. Epub 2014 Jan 20. doi: 10.1016/j.ejca.2013.11.039. Epub 2014 Jan 15.