Product name：5-5-(1,1-Dimethylethyl)-2,4-dihydroxyphenyl-N-ethyl-4-4-(4-morpholinylmethyl)phenyl-3-isoxazolecarboxamide

Computed Properties

• Exact Mass: 479.24202116g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Monoisotopic Mass: 479.24202116g/mol
• Heavy Atom Count: 35
• Complexity: 687
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count : 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• Covalently-Bonded Unit Count: 1
• XLogP3: 4.1
• Topological Polar Surface Area: 108Ų

• 1. Blocking the heat shock response and depleting HSF-1 levels through heat shock protein 90 (hsp90) inhibition: a significant advance on current hsp90 chemotherapies Yen Chin Koay,Jeanette R. McConnell,Yao Wang,Shelli R. McAlpine RSC Adv. 2015 5 59003
• 2. Using NMR to identify binding regions for N and C-terminal Hsp90 inhibitors using Hsp90 domains Jeanette R. McConnell,H. Jane Dyson,Shelli R. McAlpine RSC Med. Chem. 2021 12 410
• 3. Optimized HSP90 mediated fluorescent probes for cancer-specific bioimaging Shulei Zhu,Yalei Li,Yushu Huang,Minmin Zhang,Xiaofan Gu,Yang He,Hongchun Liu,Mingliang Ma,Wei Lu J. Mater. Chem. B 2020 8 1878
• 4. Effective synthesis of novel dihydrobenzisoxazoles bearing the 2-aminothiazole moiety and evaluation of the antiproliferative activity of their acylated derivatives Yuri A. Piven,Alexander M. Scherbakov,Margarita A. Yastrebova,Danila V. Sorokin,Yuri Yu. Shchegolev,Anton E. Matous,Veronica G. Zinovich,Tatyana S. Khlebnicova,Fedor A. Lakhvich Org. Biomol. Chem. 2021 19 10432
• 5. Nanomaterials for photothermal cancer therapy Shufan Duan,Yanling Hu,Ying Zhao,Kaiyuan Tang,Zhijing Zhang,Zilu Liu,Ying Wang,Haiyang Guo,Yuchen Miao,Hengda Du,Dongliang Yang,Shengke Li,Junjie Zhang RSC Adv. 2023 13 14443
• 6. Data-independent acquisition mass spectrometry (DIA-MS) for proteomic applications in oncology Lukas Krasny,Paul H. Huang Mol. Omics 2021 17 29
• 7. C-terminal heat shock protein 90 modulators produce desirable oncogenic properties Y. Wang,S. R. McAlpine Org. Biomol. Chem. 2015 13 4627
• 8. Recent advances of graphene–biomacromolecule nanocomposites in medical applications Yiting Wang,Shuhan Di,Jinhui Yu,Li Wang,Zhuang Li J. Mater. Chem. B 2023 11 500
• 9. Discovery of a novel fluorescent HSP90 inhibitor and its anti-lung cancer effect Su-Yun Bai,Xi Dai,Bao-Xiang Zhao,Jun-Ying Miao RSC Adv. 2014 4 19887
• 10. Shifting the paradigm in treating multi-factorial diseases: polypharmacological co-inhibitors of HDAC6 Alexandria M. Chan,Steven Fletcher RSC Med. Chem. 2021 12 178