CAS: 1062243-51-9; 4-((9-Cyclopentyl-7,7-Difluoro-5-Methyl-6-Oxo-6,7,8,9-Tetrahydro-5H-Pyrimido[4,5-B][1,4]Diazepin-2-yl)Amino)-3-Methoxy-N-(1-Methylpiperidin-4-yl)Benzamide
- 英文名称4-((9-Cyclopentyl-7,7-Difluoro-5-Methyl-6-Oxo-6,7,8,9-Tetrahydro-5H-Pyrimido[4,5-B][1,4]Diazepin-2-yl)Amino)-3-Methoxy-N-(1-Methylpiperidin-4-yl)Benzamide
- 中文名称PLK1抑制剂(RO3280)
- IUPAC名称4-((9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
- 其它别名4-((9-Cyclopentyl-7,7-Difluoro-5-Methyl-6-Oxo-6,7,8,9-Tetrahydro-5H-Pyrimido[4,5-B][1,4]Diazepin-2-yl)Amino)-3-Methoxy-N-(1-Methylpiperidin-4-yl)Benzamide; 4-[(9-Cyclopentyl-7,7-Difluoro-5-Methyl-6-Oxo
- CAS编号1062243-51-9
- MFCD编号:MFCD22665717
- 分子式:C27H35F2N7O3分子量:543.62
- 产品CID: 103116
- 产品分类生物化工 → 抑制剂 → 细胞周期(Cell Cycle)
物理性质
- 密度1.36±0.1 g/cm3 (20 ºC 760 Torr),
- LogP:3.5
- 溶解性≥27.2 mg/mL In DMSO; Insoluble In H2O; ≥24.75 mg/mL In Etoh
- 外观形态类白色至黄色固体
- 储存条件储存在 -20°C
- 产品应用该化合物是一种强效和高度选择性的POLO类动脉1(PLK1)抑制器(IC50=3 NM),具有显露抗突扰活动;它强烈抑制各种外壳癌细胞线的扩散,包括肺癌H82(IC 50=5 NM),直肠癌HT-29(IC50/=10 NM);乳腺癌MDA-MB-468(IC50%=19 NM)(IC50 =12 NM),前列腺癌PC3(IC50等于12 NMM)和黑瘤A375(IC50,000=70 NM). 在体外,它显示出强效抗脉搏作用,在HT29人体色切肿瘤XENGRAFT模型中裸体小鼠体内出现,肿瘤生长抑制72%,每周40毫克/千克,肿瘤完全回归,剂量更频繁.
上下游产品
4-Amino-1-methylpiperidine 4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-benzoic acid 3-cyclopentylamino-2,2-difluoro-propanoic acid ethyl ester 3-[(2-chloro-5-nitro-pyrimidin-4-yl)-cyclopentyl-amino]-2,2-difluoro-propanoic acid ethyl ester合成工艺路线路线简述
📜2-Chloro-9-Cyclopentyl-7,7-Difluoro-5-Methyl-5,7,8,9-Tetrahydro-6H-Pyrimido[4,5-B][1,4]Diazepin-6-One置于盐酸,O-Benzotriazol-1-Yl-N,N,N',N'-Bis(Tetramethylene)Uronium Hexafluorophosphate,N,N-二异丙基乙胺体系中,用 乙醇,水,N,N-二甲基甲酰胺 用作溶剂,化学反应 30.0H,反应生成Plk1抑制剂(Ro3280)
参考文献:Identification Of Novel,Potent And Selective Inhibitors Of Polo-Like Kinase 1
标题:Identification Of Novel,Potent And Selective Inhibitors Of Polo-Like Kinase 1
摘要:A Series Of Pyrimidodiazepines Was Identified As Potent Polo-Like Kinase 1 (Plk1) Inhibitors. The Synthesis And Sar Are Discussed. The Lead Compound 7 (Ro3280) Has Potent Inhibitory Activity Against Plk1,Good Selectivity Against Other Kinases,And Excellent In Vitro Cellular Potency. It Showed Strong Antitumor Activity In Xenograft Mouse Models. (C) 2011 Elsevier Ltd. All Rights Reserved.
Doi:10.1016/j.Bmcl.2011.11.052
专利信息
专利号:US-8003785-B2
优先权日:2008-06-18
标 题 :Halo-substituted pyrimidodiazepines
发明人：CAI JIANPING; CHEN SHAOQING; CHU XIN-JIE; LUK KIN-CHUN; MISCHKE STEVEN GREGORY; SUN HONGMAO; WOVKULICH PETER MICHAEL
权利人:TAKEDA PHARMACEUTICAL
摘要:The present invention provides PLK1 inhibitor compounds of formula I: n nuseful in the treatment or control of cell proliferative disorders, particularly oncological disorders. These compounds and formulations containing such compounds may be useful in the treatment or control of solid tumors, such as, for example, breast, colon, lung and prostate tumors and other oncological diseases such as non-Hodgkin's lymphomas. Also provided are intermediate compounds useful in the synthesis of compounds of formula I.
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: Chen S, Bartkovitz D, Cai J, Chen Y, Chen Z, Chu XJ, Le K, Le NT, Luk KC, Mischke S, Naderi-Oboodi G, Boylan JF, Nevins T, Qing W, Chen Y, Wovkulich PM. Identification of novel, potent and selective inhibitors of Polo-like kinase 1. Bioorg Med Chem Lett. 2012 Jan 15;22(2):1247-50. doi: 10.1016/j.bmcl.2011.11.052. Epub 2011 Dec 1.
合成参考文献
摘要:S109 | PARCEDC | List of 7074 potential endocrine disrupting compounds (EDCs) by PARC T4.2 | DOI:10.5281/zenodo.10944198
参考文献:10.1016/j.bmcl.2016.10.009
摘要:Kiryanov A, Natala S, Jones B, McBride C, Feher V, Lam B, Liu Y, Honda K, Uchiyama N, Kawamoto T, Hikichi Y, Zhang L, Hosfield D, Skene R, Zou H, Stafford J, Cao X, Ichikawa T. Structure-based design and SAR development of 5,6-dihydroimidazolo[1,5-f]pteridine derivatives as novel Polo-like kinase-1 inhibitors. Bioorganic & Medicinal Chemistry Letters. 2017 Mar;27(5):1311–5. doi: 10.1016/j.bmcl.2016.10.009.
参考文献:10.2174/1871520619666190618162828
摘要:Ergul M, Bakar-Ates F. RO3280: A Novel PLK1 Inhibitor, Suppressed the Proliferation of MCF-7 Breast Cancer Cells Through the Induction of Cell Cycle Arrest at G2/M Point. Anticancer Agents Med Chem. 2019;19(15):1846–54. doi: 10.2174/1871520619666190618162828.
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