title: A novel, broad-spectrum antitumor compound containing the 1-hydroxycyclohexa-2,5-dien-4-one group: the disclosure of a new antitumor pharmacophore in protoapigenone 1.
abstract: The synthesis of a new compound 9 containing the 4-hydroxy-2,5-cyclohexadien-1-one system, a key elements toward elucidation of the protoapigenone 1 antitumor pharmacophore, was described. The compound showed potent in vitro antitumor potency with low micromolar IC(50)'s against breast, ovarian, prostate, liver, pancreas, and blood cancer cell lines tested and could inhibit tumor growth in vivo but no significant impairment of hematopoiesis or immune function was observed. The minimum structural pharmacophore of 1 has now been refined.
authors.affiliation: Key Laboratory of Natural Medicinal Chemistry and Resources Evaluation of Hubei Province, College of Pharmacy, Tongji Medical Center of Huazhong University of Science and Technology, Wuhan 430030, China.
authors.forename: Qianying
authors.initials: Q
authors.lastname: Yuan
authors.forename: Ziwei
authors.initials: Z
authors.lastname: Liu
authors.forename: Chaomei
authors.initials: C
authors.lastname: Xiong
authors.forename: Liqian
authors.initials: L
authors.lastname: Wu
authors.forename: Jianping
authors.initials: J
authors.lastname: Wang
authors.forename: Jinlan
authors.initials: J
authors.lastname: Ruan
mesh_terms: D000970:Antineoplastic Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D045744:Cell Line, Tumor; D049109:Cell Proliferation / Q000187:drug effects; D003512:Cyclohexanones / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D005260:Female; D047309:Flavones / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D006801:Humans; D020128:Inhibitory Concentration 50; D008297:Male; D009369:Neoplasms / Q000188:drug therapy
chemical_list: D000970:Antineoplastic Agents; D003512:Cyclohexanones; D047309:Flavones; C524112:protoapigenone