CAS: 1951483-29-6; 6,6-Dimethyl-2-(2-((1-Methyl-1H-Pyrazol-5-yl)Amino)Pyrimidin-4-yl)-5-(2-Morpholinoethyl)-5,6-Dihydro-4H-Thieno[2,3-C]Pyrrol-4-One
- 英文名称6,6-Dimethyl-2-(2-((1-Methyl-1H-Pyrazol-5-yl)Amino)Pyrimidin-4-yl)-5-(2-Morpholinoethyl)-5,6-Dihydro-4H-Thieno[2,3-C]Pyrrol-4-One
- 中文名称化合物LY3214996
- IUPAC名称6,6-dimethyl-2-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)-5-(2-morpholinoethyl)-5,6-dihydro-4H-thieno[2,3-c]pyrrol-4-one
- 其它别名Unii-V0Q46Lfe6F; Temuterkib [inn]; 11,46,46-Trimethyl-45,46-Dihydro-11-H-2-Aza-4(2,5)-Thieno(2,3-C)Pyrrola-3(2,4)-Pyrimidina-7(4)-Morpholina-1(5)-Pyrazolaheptaphan-44-On
- CAS编号1951483-29-6
- MFCD编号:MFCD31544324
- FDA UNII编号:V0Q46LFE6F
- 分子式:C22H27N7O2S分子量:453.57
- 产品CID: 991344
- 同类组份化合物CAS1951483-29-6 (free base)2365171-00-0 (mesylate)
- 产品分类生物化工 → 抑制剂
物理性质
- 沸点711.5±70.0 °C(预测)
- 密度1.43±0.1 g/cm3(预测)
- pKa:6.58±0.10(预测)
- LogP:1.4
- 溶解性DMSO:23.5(Max Conc. mg/mL);51.81(Max Conc. Mm) Ethanol:16.0(Max Conc. mg/mL);35.28(Max Conc. Mm)
- 外观形态白色至黄色结晶性固体
- 储存条件储存在 -20°C
- 产品应用该化合物是一种选择性和新颖的ERK1/2抑制剂,具有潜在的抗抗菌活性;它有效地抑制了存放BRAF或RAS突变的癌症细胞线中的磷酸盐RSK1(P-RSK1). 它展示了与变种BRAW,NRAS或KRAS(MAPK路径的变异)在肿瘤细胞线上的抗扩散作用;表明肿瘤生长作为XEFT或PDX型BRAFF-或NRASS-MUTIMATE MELAMA,结肠癌,肺癌和胰腺癌的单一口服剂而受到显著抑制;在抗A375抗A3乳腺色素模型中表现出抗抗抗瘤作用;可以与诸如CDK4/6抑制剂或乙酸性其他制剂相结合,导致肿瘤生长加速或倒退,在多种输血癌模型中具有良好的耐性.
MSDS等安全信息
合成工艺路线路线简述
📜2-吗啉乙醇置于palladium Diacetate,四丁基碘化铵,Sodium Hydride,Caesium Carbonate,4,5-双二苯基膦-9,9-二甲基氧杂蒽,二溴三苯基膦体系中,用 1,4-二氧六环,N-甲基吡咯烷酮,二氯甲烷,Mineral Oil 用作溶剂,化学反应 5.17H,反应生成化合物ly3214996
参考文献:Erk Inhibitors
标题:Erk Inhibitors
摘要:本发明提供了抑制细胞外信号调节激酶(erk)活性的噻吩[2,3-C]吡咯-4-酮化合物,并可能在癌症治疗中有用.
海关参考信息
- 2909110000-乙醚
2912110000-甲醛
2921211000-乙二胺
2922110001-单乙醇胺 - 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
- 详情请参考：📖 海关编码查询和海关进出口税则
供应商参考报价(招募中)
品牌试剂参考报价(招募中)
📌 第三方产品分析报告
主要参考文献
1: Wang M, Zhang L, Liu Z, Zhou J, Pan Q, Fan J, Zang R, Wang L. AGO1 may influence the prognosis of hepatocellular carcinoma through TGF-β pathway. Cell Death Dis. 2018 Feb 27;9(3):324. doi: 10.1038/s41419-018-0338-y.
合成参考文献
参考文献:10.1016/j.ejmech.2023.116117
摘要:Jiang M, Wu W, Xiong Z, Yu X, Ye Z, Wu Z. Targeting autophagy drug discovery: Targets, indications and development trends. European Journal of Medicinal Chemistry. 2024 Mar;267():116117. doi: 10.1016/j.ejmech.2023.116117.
参考文献:10.1007/s00204-024-03740-3
摘要:Matsuzaka R, Yamaguchi H, Ohira C, Kurita T, Iwashita N, Takagi Y, Nishino T, Noda K, Sugita K, Kushiro M, Miyake S, Fukuyama T. Sub-acute oral exposure to lowest observed adverse effect level of nivalenol exacerbates atopic dermatitis in mice via direct activation of mitogen-activated protein kinase signal in antigen-presenting cells. Arch Toxicol. 2024 Jul;98(7):2173–83. doi: 10.1007/s00204-024-03740-3.
参考文献:10.1158/1535-7163.mct-19-0505
摘要:Kidger AM, Munck JM, Saini HK, Balmanno K, Minihane E, Courtin A, Graham B, O'Reilly M, Odle R, Cook SJ. Dual-Mechanism ERK1/2 Inhibitors Exploit a Distinct Binding Mode to Block Phosphorylation and Nuclear Accumulation of ERK1/2. Mol Cancer Ther. 2020 Feb;19(2):525–39. doi: 10.1158/1535-7163.mct-19-0505.
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