Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model.

Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model. Descriptor: (3aR)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14,15,17,18,19-dodecahydro-13H-10,6-(metheno)pyrrolo[2',1':3,4][1,4,9]triazacyclotetradecino[9,8-a]indole-7-carboxamide, Heat shock protein HSP 90-alpha Authors: Zapf, C.W, Bloom, J.D, McBean, J.L, Dushin, R.G, Golas, J.M, Liu, H, Lucas, J, Boschelli, F, Vogan, E.M, Levin, J.I. Deposit date: 2011-03-24 Release date: 2011-06-08 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.5801 Å) Cite: Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model. Bioorg.Med.Chem.Lett., 21, 2011

本数据集报道了一种带有杂环连接臂的大环邻氨基苯甲酰胺类热休克蛋白90（Heat shock protein 90, Hsp90）抑制剂，该抑制剂在小鼠异种移植模型中展现出持久的生物标志物活性与体内药效。化合物标识：(3aR)-13,13,16-三甲基-15-氧代-1,2,3,3a,4,5,12,14,15,17,18,19-十二氢-13H-10,6-(甲叉)吡咯并[2',1':3,4][1,4,9]三氮杂环十四烷并[9,8-a]吲哚-7-甲酰胺，热休克蛋白HSP 90-α。作者：Zapf, C.W.、Bloom, J.D.、McBean, J.L.、Dushin, R.G.、Golas, J.M.、Liu, H.、Lucas, J.、Boschelli, F.、Vogan, E.M.、Levin, J.I.。提交日期：2011年3月24日。发布日期：2011年6月8日。最后修改日期：2024年2月21日。检测方法：X射线衍射（X-RAY DIFFRACTION），测试波长为1.5801埃。引用文献：发现一种带有杂环连接臂的大环邻氨基苯甲酰胺类Hsp90抑制剂，该抑制剂在小鼠异种移植模型中展现出持久的生物标志物活性与体内药效，《Bioorg.Med.Chem.Lett.》，21卷，2011年。