CAS: 501437-28-1; 2-((3,5-Difluoro-4-Hydroxyphenyl)Amino)-8-Isopentyl-5,7-Dimethyl-7,8-Dihydropteridin-6(5H)-One
该化合物是合成有机化合物,属于石质化合物类别,具有合成有机化合物,具有一种复杂结构,其特征为丙烯酮核心,代之以各种功能组,包括含氟和氢氧替代成分的厌食动物,露天体组的存在助长了其缺水特性,而二氟和氢氧化物组可能影响其生物活动和溶性,该化合物可能具有特定的药理特性,使其对药用化学和药物开发具有兴趣,其独特的结构特征表明与生物目标可能发生相互作用,可在治疗方面加以探讨.与许多合成化合物一样,其稳定性,再活性和潜在应用将取决于其使用的具体条件.为了充分阐明其特性和潜在用途,有必要进一步研究.
- 英文名称2-((3,5-Difluoro-4-Hydroxyphenyl)Amino)-8-Isopentyl-5,7-Dimethyl-7,8-Dihydropteridin-6(5H)-One
- 中文名称2-[(3,5-二氟-4-羟基苯基)氨基]-7,8-二氢-5,7-二甲基-8-(3-甲基丁基)-6(5H)-蝶啶酮
- IUPAC名称2-((3,5-difluoro-4-hydroxyphenyl)amino)-8-isopentyl-5,7-dimethyl-7,8-dihydropteridin-6(5H)-one
- CAS编号501437-28-1
- MFCD编号:MFCD11223662
- FDA UNII编号:WLN44M8WHJ
- 分子式:C19H23F2N5O2
- 分子量:391.42
- 产品CID: 1488866
- 产品分类生物化工 → 抑制剂 → PI3K/Akt/mTOR抑制剂(PI3K/Akt/mTOR)
物理性质
- 沸点579.3±60.0 °C at 760 mmHg
- 闪点304.2±32.9 °C
- 密度1.3±0.1 g/cm3
- pKa:7.68±0.36(预测)
- PSA:81.59
- LogP:3.53
- 折射率1.585
- 蒸汽压0.0±1.7 mmHg at 25°C
- 溶解性Soluble in DMSO (up to 15 mg/ml)
- 外观形态白色至类白色固体
- 储存条件-20°C
- 产品应用该化合物用作研究RSK中介信号路径;它展示了对RSK1,RSK2,RSK2,RC3,和RSK4的强效抑制性活动,其IC50值分别为31纳米,24纳米,18纳米M和15纳米M;它显示RSK在MST2,GSK-3Β,MARK3,CK1和AURORA B等其他血脉动系统中的 > 10至100倍的选择性;BI-D1870是一种细胞渗透性工具,有效抑制了由HEK293和RAT-2细胞中的PHORBESTER或EGFEG值诱导出的血压性CREBEB;除了其作为血管抑制剂的作用外,BID18-D70型气素的反感应特性外,它也不禁止PHOLB-EB-EB.
合成工艺路线路线简述
海关参考信息
- 2912110000-甲醛
2912120000-乙醛
2921211000-乙二胺
2908199090-其他酚的卤化衍生物 - 💡 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-12258315-B2
优先权日:2020-04-17
标 题:S6K1 protein kinase inhibitors as cancer therapeutics
发明人：SRIDHAR JAYALAKSHMI; BRATTON MELYSSA; KOMATI RAJESH
权利人:XAVIER UNIV OF LOUISIANA
摘要:The present disclosure relates to compounds that act as protein kinase inhibitors, especially RPS6K1 and the synthesis of the same. Further, the present disclosure teaches the utilization of such compounds in a treatment for proliferative diseases, including cancer, particularly breast cancer, and especially ER+ and/or HER2+ breast cancer, prostate cancer, lung cancer, and metastatic cancer.
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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: Edgar AJ, Trost M, Watts C, Zaru R. A combination of SILAC and nucleotide acyl phosphate labelling reveals unexpected targets of the Rsk inhibitor BI-D1870. Biosci Rep. 2013 Dec 17. [Epub ahead of print]
2: Chiu CF, Bai LY, Kapuriya N, Peng SY, Wu CY, Sargeant AM, Chen MY, Weng JR. Antitumor effects of BI-D1870 on human oral squamous cell carcinoma. Cancer Chemother Pharmacol. 2014 Feb;73(2):237-47. doi: 10.1007/s00280-013-2349-9. Epub 2013 Nov 16. doi: 10.1038/cddis.2013.386.
4: Sapkota GP, Cummings L, Newell FS, Armstrong C, Bain J, Frodin M, Grauert M, Hoffmann M, Schnapp G, Steegmaier M, Cohen P, Alessi DR. BI-D1870 is a specific inhibitor of the p90 RSK (ribosomal S6 kinase) isoforms in vitro and in vivo. Biochem J. 2007 Jan 1;401(1):29-38.
合成参考文献
参考文献:10.1021/acsmedchemlett.9b00082
摘要:Serafim RAM, de Souza Gama FH, Dutra LA, dos Reis CV, Vasconcelos SNS, da Silva Santiago A, Takarada JE, Di Pillo F, Azevedo H, Mascarello A, Elkins JM, Massirer KB, Gileadi O, Guimarães CRW, Couñago RM. Development of Pyridine-based Inhibitors for the Human Vaccinia-related Kinases 1 and 2. ACS Med. Chem. Lett. 2019 Aug 19;10(9):1266–71. doi: 10.1021/acsmedchemlett.9b00082.
参考文献:10.1371/journal.pone.0071697
摘要:Yang S, Counter CM. Cell Cycle Regulated Phosphorylation of the Telomere-Associated Protein TIN2. PLoS ONE. 2013 Aug 16;8(8):e71697. doi: 10.1371/journal.pone.0071697.
参考文献:10.1021/acs.jmedchem.1c00969
摘要:Yuan Y, Xu J, Jiang L, Yu K, Ge Y, Li M, He H, Niu Q, Shi X, Fan L, Chen Z, Zhao Z, Li S, Xu Y, Wang Z, Li H. Discovery, Optimization, and Structure-Activity Relationship Study of Novel and Potent RSK4 Inhibitors as Promising Agents for the Treatment of Esophageal Squamous Cell Carcinoma. J Med Chem. 2021 Sep 23;64(18):13572–87. doi: 10.1021/acs.jmedchem.1c00969.
参考文献:10.1248/bpb.b21-00531
摘要:Katayama K, Nishihata A. RSK Inhibition Induces Apoptosis by Downregulating Protein Synthesis in a Variety of Acute Myeloid Leukemia Cell Lines. Biological & Pharmaceutical Bulletin. 2021 Dec 01;44(12):1843–50. doi: 10.1248/bpb.b21-00531.
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