CAS: 2095719-92-7; (R)-2-(6-(5-Chloro-2-((Tetrahydro-2H-Pyran-4-yl)Amino)Pyrimidin-4-yl)-1-Oxoisoindolin-2-yl)-N-((S)-1-(3-Fluoro-5-Methoxyphenyl)-2-Hydroxyethyl)Propanamide
该化合物是一种选择性和强大的小型分子抑制剂,针对的是外细胞信号调节型的1号和2号(ERK1/2)(ERK1/2),这是MAPK信号路径的关键组成部分.该复合物具有很高的特性,有效地抑制了ERK1/2 磷酸化和下游信号级联,这些级联与细胞扩散,生存和差异有关.其特征清晰的行动机制使它成为研究应用中研究依赖ERK的细胞过程的宝贵工具.抑制剂显示了有利的药理动力特性,包括稳定性和细胞渗透性,确保了体外和体外研究的可靠性能.它对于研究诱导路径,发炎反应和其他ERK中间生理或病理条件特别有用.
- 英文名称(R)-2-(6-(5-Chloro-2-((Tetrahydro-2H-Pyran-4-yl)Amino)Pyrimidin-4-yl)-1-Oxoisoindolin-2-yl)-N-((S)-1-(3-Fluoro-5-Methoxyphenyl)-2-Hydroxyethyl)Propanamide
- 中文名称(R)-2-(6-(5-氯-2-((四氢-2H-吡喃-4-基)氨基)嘧啶-4-基)-1-氧代异吲哚啉-2-基)-N-((S)-1-(3-氟-5-甲氧基苯基)-2-羟乙基)丙酰胺
- IUPAC名称(R)-2-(6-(5-chloro-2-((tetrahydro-2H-pyran-4-yl)amino)pyrimidin-4-yl)-1-oxoisoindolin-2-yl)-N-((S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl)propanamide
- 其它别名(2~{r})-2-[5-[5-Chloranyl-2-(Oxan-4-Ylamino)Pyrimidin-4-Yl]-3-Oxidanylidene-1~{h}-Isoindol-2-Yl]-~{n}-[(1~{s})-1-(3-Fluoranyl-5-Methoxy-Phenyl)-2-Oxidanyl-Ethyl]Propanamide
- CAS编号2095719-92-7
- MFCD编号:MFCD32874105
- EINECS号:866-973-6
- FDA UNII编号:14FDK6ISC9
- 分子式:C29H31ClFN5O5分子量:584.05
- 产品CID: 1074052
- 产品分类Chemistry → Heterocyclic Building Blocks → Aromatic Heterocycles | Inhibitors/Agonists → MAPK/ERK Pathway → ERK
- 相似结构搜索
- InChIKey: BVRGQPJKSKKGIH-PUAOIOHZSA-N
- BVRGQPJKSKKGIH-YZMAQOALNA-N
- 计算化学: 氢键受体数9.0氢键供体数3.0可旋转键数9.0
物理性质
MSDS等安全信息
- GHS象形图
- GHS符号GHS07 & GHS08;
注释: Exclamation mark & Health hazard - 危险类别急性毒性 类别4(吸入)
急性毒性 类别4(经口)
特定目标器官毒性-重复接触 类别2
STOT SE 2 - 警示词Warning(警告)
- 危险描述H332 |吸入有害.
H302 |吞咽有害.
H373 |长期或反复接触可能损害器官.
H371 |可能损害器官. - 防范说明P261-P264-P270-P271-P280-P301+P312-P330-P302+P352-P321-P304+P340-P305+P351+P338-P332+P313-P362+P364-P337+P313-P403+P233-P405-P501
欧盟法规
C&L通报合成工艺路线路线简述
海关参考信息
- 2902600000-乙苯
2905121000-正丙醇
2905130000-正丁醇
2909110000-乙醚 - 💡 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: Heightman TD, Berdini V, Bevan L, Buck IM, Carr MG, Courtin A, Coyle JE, Day JEH, East C, Fazal L, Griffiths-Jones CM, Howard S, Kucia-Tran J, Martins V, Muench S, Munck JM, Norton D, O'Reilly M, Palmer N, Pathuri P, Peakman TM, Reader M, Rees DC, Rich SJ, Shah A, Wallis NG, Walton H, Wilsher NE, Woolford AJ, Cooke M, Cousin D, Onions S, Shannon J, Watts J, Murray CW. Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J Med Chem. 2021 Aug 26;64(16):12286-12303. doi: 10.1021/acs.jmedchem.1c00905. Epub 2021 Aug 13. 20(10):1757-1768. doi: 10.1158/1535-7163.MCT-20-0909. Epub 2021 Jul 30.
合成参考文献
参考文献:10.1158/1535-7163.mct-20-0909
摘要:Munck JM, Berdini V, Bevan L, Brothwood JL, Castro J, Courtin A, East C, Ferraldeschi R, Heightman TD, Hindley CJ, Kucia-Tran J, Lyons JF, Martins V, Muench S, Murray CW, Norton D, O'Reilly M, Reader M, Rees DC, Rich SJ, Richardson CJ, Shah AD, Stanczuk L, Thompson NT, Wilsher NE, Woolford AJ, Wallis NG. ASTX029, a Novel Dual-mechanism ERK Inhibitor, Modulates Both the Phosphorylation and Catalytic Activity of ERK. Mol Cancer Ther. 2021 Oct;20(10):1757–68. doi: 10.1158/1535-7163.mct-20-0909.
参考文献:10.1021/acs.jmedchem.1c00905|10.2210/pdb7nqq/pdb|10.2210/pdb7nqw/pdb|10.2210/pdb7nr3/pdb|10.2210/pdb7nr5/pdb|10.2210/pdb7nr8/pdb|10.2210/pdb7nr9/pdb
摘要:Heightman TD, Berdini V, Bevan L, Buck IM, Carr MG, Courtin A, Coyle JE, Day JEH, East C, Fazal L, Griffiths-Jones CM, Howard S, Kucia-Tran J, Martins V, Muench S, Munck JM, Norton D, O'Reilly M, Palmer N, Pathuri P, Peakman TM, Reader M, Rees DC, Rich SJ, Shah A, Wallis NG, Walton H, Wilsher NE, Woolford AJ, Cooke M, Cousin D, Onions S, Shannon J, Watts J, Murray CW. Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J Med Chem. 2021 Aug 26;64(16):12286–303. doi: 10.1021/acs.jmedchem.1c00905.
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