{"title":"28-O-Acetyl-3-O”——(Phenylpropynoyl)桦木醇","authors":"Ewa Bębenek, Monika Kadela-Tomanek, Beata Filip-Psurska, Elwira Chrobak","doi":"10.3390/m1741","DOIUrl":null,"url":null,"abstract":"New derivative of 28-acetylbetulin containing a phenylpropynoyl moiety at the C-3 position was obtained by Steglich method. The chemical structure of this compound has been determined through 1H NMR, 13C NMR, IR, EI MS and HRMS. The antiproliferative effects of 28-O-acetyl-3-O’-(phenylpropynoyl)betulin were evaluated against three human cancer cell lines: T47D (breast cancer), CCRF/CEM (leukemia), SW707 (colorectal adenocarcinoma) and murine cell line P388 (leukemia). The synthesized compound exhibited moderate antiproliferative activity against P388 cells (IC50 = 35.51 µM). The in silico analysis showed that the title compound meets the criteria of Veber’s rule.","PeriodicalId":18761,"journal":{"name":"Molbank","volume":"18 2","pages":"0"},"PeriodicalIF":0.6000,"publicationDate":"2023-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"28-O-Acetyl-3-O’-(Phenylpropynoyl)Betulin\",\"authors\":\"Ewa Bębenek, Monika Kadela-Tomanek, Beata Filip-Psurska, Elwira Chrobak\",\"doi\":\"10.3390/m1741\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"New derivative of 28-acetylbetulin containing a phenylpropynoyl moiety at the C-3 position was obtained by Steglich method. The chemical structure of this compound has been determined through 1H NMR, 13C NMR, IR, EI MS and HRMS. The antiproliferative effects of 28-O-acetyl-3-O’-(phenylpropynoyl)betulin were evaluated against three human cancer cell lines: T47D (breast cancer), CCRF/CEM (leukemia), SW707 (colorectal adenocarcinoma) and murine cell line P388 (leukemia). The synthesized compound exhibited moderate antiproliferative activity against P388 cells (IC50 = 35.51 µM). The in silico analysis showed that the title compound meets the criteria of Veber’s rule.\",\"PeriodicalId\":18761,\"journal\":{\"name\":\"Molbank\",\"volume\":\"18 2\",\"pages\":\"0\"},\"PeriodicalIF\":0.6000,\"publicationDate\":\"2023-10-24\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Molbank\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.3390/m1741\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, ORGANIC\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Molbank","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.3390/m1741","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, ORGANIC","Score":null,"Total":0}
引用次数: 0
摘要
用Steglich法合成了含有C-3位苯基丙基的28-乙酰白桦林衍生物。该化合物的化学结构通过1H NMR、13C NMR、IR、EI MS和HRMS进行了表征。研究了28- o -乙酰基-3- o ' -(苯丙基)白桦林对3种人类癌细胞系T47D(乳腺癌)、CCRF/CEM(白血病)、SW707(结直肠癌)和小鼠P388(白血病)的抗增殖作用。合成的化合物对P388细胞具有中等的抗增殖活性(IC50 = 35.51µM)。结果表明，标题化合物符合Veber规则。
New derivative of 28-acetylbetulin containing a phenylpropynoyl moiety at the C-3 position was obtained by Steglich method. The chemical structure of this compound has been determined through 1H NMR, 13C NMR, IR, EI MS and HRMS. The antiproliferative effects of 28-O-acetyl-3-O’-(phenylpropynoyl)betulin were evaluated against three human cancer cell lines: T47D (breast cancer), CCRF/CEM (leukemia), SW707 (colorectal adenocarcinoma) and murine cell line P388 (leukemia). The synthesized compound exhibited moderate antiproliferative activity against P388 cells (IC50 = 35.51 µM). The in silico analysis showed that the title compound meets the criteria of Veber’s rule.
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