CAS: 755038-02-9; (R)-4-((8-Cyclopentyl-7-Ethyl-5-Methyl-6-Oxo-5,6,7,8-Tetrahydropteridin-2-yl)Amino)-3-Methoxy-N-(1-Methylpiperidin-4-yl)Benzamide
该化合物是一个小分子抑制器,主要以其作为酶蛋白类动脉1(PLK1)的选择性抑制器的作用而闻名,它对细胞分裂和扩散至关重要,该化合物的特点是能够诱发细胞循环逮捕和癌症细胞中的流行性硬化,使其成为癌症研究和治疗的一个关注对象.BI 2536在临床前研究中展示了防止各种癌症类型的功效,特别是具有高PLK1表达式的癌症.该物质通常在药物配方中施用,并在临床试验中评估其提高现有癌症治疗效力的潜力.其化学结构具有复杂的安排,有助于其作为PLK1抑制剂的特殊性和作用.与许多调查药物一样,安全性特征和副作用是其研制和应用肿瘤学的重要考虑因素.
- 英文名称(R)-4-((8-Cyclopentyl-7-Ethyl-5-Methyl-6-Oxo-5,6,7,8-Tetrahydropteridin-2-yl)Amino)-3-Methoxy-N-(1-Methylpiperidin-4-yl)Benzamide
- 中文名称4-[[(7R)-8-环戊基-7-乙基-5,6,7,8-四氢-5-甲基-6-氧代-2-喋啶基]氨基]-3-甲氧基-N-(1-甲基-4-哌啶基)苯甲酰胺
- IUPAC名称(R)-4-((8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
- 其它别名(R)-4-(8-Cyclopentyl-7-Ethyl-5-Methyl-6-Oxo-5,6,7,8-Tetrahydropteridin-2-Ylamino)-3-Methoxy-N-(1-Methylpiperidin-4-yl)Benzamide; (R)-4-((8-Cyclopentyl-7-Ethyl-5-Methyl-6-Oxo-5,6,7,8-Tetrahydropteridin-2-yl)Amino)-3-Methoxy-N-(1-Methylpip
- CAS编号755038-02-9
- MFCD编号:MFCD10565924
- EINECS号:999-050-2
- FDA UNII编号:4LJG22T9C6
- 分子式:C28H39N7O3分子量:521.67
- 产品CID: 1746984
- 产品分类生物化工 → 抑制剂 → 细胞周期(Cell Cycle)
物理性质
- 密度1.3±0.1 g/cm3
- pKa:14.09±0.20(预测)
- PSA:102.93
- LogP:1.81
- 折射率1.634
- 溶解性Soluble In DMSO (Up To 20 mg/mL) Or In Ethanol (Up To 25 mg/mL)
- 外观形态类白色黄色粉末
- 储存条件置于阴暗处,密封干燥,冷冻保存, 低于 -20°C
- 产品应用该化合物用作癌症研究和治疗.它抑制了PLLK 1,在无细胞分析中,IC50为0.83纳米纳米纳米,还显示对PLOCK2(IC50=3.5纳米M)和PLK3(IC50 = 9.0纳米M)的活动,同时在由63个其他蛋白质细胞组成的板块上展示了超过1,000倍的选择性.BI-2536扰乱了多颗PLKU1依赖的排气过程,包括招募Γ-UBULIN为细胞质,APC6磷酸和从染色体武器释放的CHESIN,导致单极脊椎形成.它导致G2/M细胞循环停止,随后以依赖浓度的方式出现DNA破碎裂,流行症和腐烂的PARP P85碎片积累.B II-2 536展示了针对人类肿瘤细胞大块块的强烈抗生性活动(EC50=2-225纳米),还抑制正常的生长.
MSDS等安全信息
欧盟法规
C&L通报上下游产品
CAS号41838-46-4 4-氨基-1-甲基哌啶 | CAS号755039-55-5 (7R)-2-氯-8-环戊基-... | CAS号876126-60-2 4-amino-3-metho... | CAS号755039-56-6 (R)-4-(8-cyclop... | CAS号755039-53-3 (2R)-2-[(2-氯-5-... | CAS号755039-54-4 (7R)-2-氯-8-环戊烷基... | CAS号755039-52-2 (2R)-2-(环戊氨基)-丁酸甲酯合成工艺路线路线简述
📜4-氨基-1-甲基哌啶置于o-(Benzotriazol-1-yl)-N,N,N',N'-Tetramethyluronium Tetrafluoroborate,N,N-二异丙基乙胺体系中,用 二氯甲烷 作为反应溶剂,化学反应 3.0H,反应生成 4-[[(7R)-8-环戊基-7-乙基-5,6,7,8-四氢-5-甲基-6-氧代-2-喋啶基]氨基]-3-甲氧基-N-(1-甲基-4-哌啶基)苯甲酰胺
参考文献:Storage Stable Perfusion Solution For Dihydropteridinones
标题:Storage Stable Perfusion Solution For Dihydropteridinones
摘要:公开了含有一种一般式(i)的活性物质的储存稳定的水性不可注射或可注射溶液,其中组l,R1,R2,R3,R4和r5具有声明中给出的含义和说明书中的含义,以及足以溶解活性物质并起稳定剂作用的生理可接受酸或酸混合物的量,可选地与适用于肌肉注射的其他配方辅料一起,并根据本发明制备不可注射或可注射溶液的方法.
海关参考信息
- 2905110000-甲醇
2912110000-甲醛
2912120000-乙醛
2912210000-苯甲醛 - 💡 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
专利信息
专利号:US-10905769-B2
优先权日:2015-11-13
标 题:Peptide and peptide mimetic binding antagonists of polo-like kinase 1 polo box domain and methods of use
发明人：BURKE JR TERRENCE R; HYMEL DAVID T; TSUJI KOHEI
权利人:THE US SECRETARY DEPARTMENT OF HEALTH & HUMAN SERVICES
摘要:The description provides novel compounds that may serve as anticancer therapeutics. The compounds of the description bind to polo-like kinases through the polo-box domain. The peptide derivatives of the description have achieved improved efficacy in biochemical assays against Plk1. Exemplary compounds of the description include macrocyclic peptidomimetics with high affinity and selectivity for polo-like kinases, which may provide the basis for a new genre of anticancer therapeutics. Other exemplary compounds of the description include bi-valent compounds with that bind to polo-like kinases through both kinase domain and polo-box domain simultaneously by incorporating additional moieties that target Plk1 kinase domain, which significantly enhances affinitity relative and may provide the basis for a new genre of anticancer therapeutics. The description also provides methods of use, methods of preparation, compositions, and kits thereof. Further, the description provides a novel method of design and/or synthesis of phosphoryl-derived peptide derivatives useful as therapeutic agents.
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: Müller-Tidow C, Bug G, Lübbert M, Krämer A, Krauter J, Valent P, Nachbaur D, Berdel WE, Ottmann OG, Fritsch H, Munzert G, Garin-Chesa P, Fleischer F, Taube T, Döhner H. A randomized, open-label, phase I/II trial to investigate the maximum tolerated dose of the Polo-like kinase inhibitor BI 2536 in elderly patients with refractory/relapsed acute myeloid leukaemia. Br J Haematol. 2013 Oct;163(2):214-22. doi: 10.1111/bjh.12518. Epub 2013 Aug 16. doi: 10.1016/j.bcp.2013.08.004. Epub 2013 Aug 17.
3: Vose JM, Friedberg JW, Waller EK, Cheson BD, Juvvigunta V, Fritsch H, Petit C, Munzert G, Younes A. The Plk1 inhibitor BI 2536 in patients with refractory or relapsed non-Hodgkin lymphoma: a phase I, open-label, single dose-escalation study. Leuk Lymphoma. 2013 Apr;54(4):708-13. doi: 10.3109/10428194.2012.729833. Epub 2012 Oct 4.
5: Mross K, Dittrich C, Aulitzky WE, Strumberg D, Schutte J, Schmid RM, Hollerbach S, Merger M, Munzert G, Fleischer F, Scheulen ME. A randomised phase II trial of the Polo-like kinase inhibitor BI 2536 in chemo-naïve patients with unresectable exocrine adenocarcinoma of the pancreas - a study within the Central European Society Anticancer Drug Research (CESAR) collaborative network. Br J Cancer. 2012 Jul 10;107(2):280-6. doi: 10.1038/bjc.2012.257. Epub 2012 Jun 14.
合成参考文献
参考文献:10.1371/journal.pone.0020226
摘要:McMillin DW, Delmore J, Negri J, Ooi M, Klippel S, Miduturu CV, Gray NS, Richardson PG, Anderson KC, Kung AL, Mitsiades CS. Microenvironmental Influence on Pre-Clinical Activity of Polo-Like Kinase Inhibition in Multiple Myeloma: Implications for Clinical Translation. PLoS ONE. 2011 Jul 07;6(7):e20226. doi: 10.1371/journal.pone.0020226.
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