(9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
• 化学式: C₁₉H₁₉ClO₅
• 分子量: 362.8
• InChiKey: YXWAGDSTADMCGH-VOERYJCWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  25
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Treatment of viral infections by modulation of host cell metabolic pathways
  申请人：Munger Josh

  公开号：US20090239830A1

  公开（公告）日：2009-09-24

  Alterations of certain metabolite concentrations and fluxes that occur in response to viral infection are described. Host cell enzymes in the involved metabolic pathways are selected as targets for intervention; i.e., to restore metabolic flux to disadvantage viral replication, or to further derange metabolic flux resulting in “suicide” of viral-infected cells (but not uninfected cells) in order to limit viral propagation. While any of the enzymes in the relevant metabolic pathway can be selected, pivotal enzymes at key control points in these metabolic pathways are preferred as candidate antiviral drug targets. Inhibitors of these enzymes are used to reverse, or redirect, the effects of the viral infection. Drug candidates are tested for antiviral activity using screening assays in vitro and host cells, as well as in animal models. Animal models are then used to test efficacy of candidate compounds in preventing and treating viral infections. The antiviral activity of enzyme inhibitors is demonstrated.

  描述了在病毒感染时发生的某些代谢物浓度和通量的改变。选择涉及代谢途径的宿主细胞酶作为干预靶点；即恢复代谢通量以不利于病毒复制，或进一步扰乱代谢通量导致病毒感染细胞的“自杀”（但不包括未感染的细胞），以限制病毒传播。虽然可以选择相关代谢途径中的任何酶，但是在这些代谢途径中关键控制点的关键酶更适合作为候选抗病毒药物靶点。使用这些酶的抑制剂来逆转或重定向病毒感染的影响。使用体外筛选分析和宿主细胞以及动物模型测试药物候选物的抗病毒活性。然后使用动物模型测试候选化合物在预防和治疗病毒感染方面的功效。证明了酶抑制剂的抗病毒活性。
• TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS
  申请人：MUNGER Josh

  公开号：US20130065850A1

  公开（公告）日：2013-03-14

  Alterations of certain metabolite concentrations and fluxes that occur in response to viral infection are described. Host cell enzymes in the involved metabolic pathways are selected as targets for intervention; i.e., to restore metabolic flux to disadvantage viral replication, or to further derange metabolic flux resulting in “suicide” of viral-infected cells (but not uninfected cells) in order to limit viral propagation. While any of the enzymes in the relevant metabolic pathway can be selected, pivotal enzymes at key control points in these metabolic pathways are preferred as candidate antiviral drug targets. Inhibitors of these enzymes are used to reverse, or redirect, the effects of the viral infection. Drug candidates are tested for antiviral activity using screening assays in vitro and host cells, as well as in animal models. Animal models are then used to test efficacy of candidate compounds in preventing and treating viral infections. The antiviral activity of enzyme inhibitors is demonstrated.

  描述了某些代谢物浓度和通量的改变，这些改变是对病毒感染的反应。选择参与代谢途径的宿主细胞酶作为干预的目标，即恢复代谢通量以削弱病毒复制，或进一步扰乱代谢通量导致病毒感染细胞的“自杀”（但不包括未感染的细胞），以限制病毒传播。虽然可以选择相关代谢途径中的任何酶，但是在这些代谢途径的关键控制点上的关键酶被优先选择作为候选抗病毒药物靶点。使用这些酶的抑制剂来扭转或重定向病毒感染的影响。通过体外和宿主细胞的筛选试验以及动物模型来测试药物候选物的抗病毒活性。然后使用动物模型来测试候选化合物在预防和治疗病毒感染方面的功效。证明了酶抑制剂的抗病毒活性。
• Treatment Of Neurofibromatosis With Radicicol And Its Derivatives
  申请人：CHEN Ruihong

  公开号：US20100292218A1

  公开（公告）日：2010-11-18

  The present invention provides compounds of formulae Ia, Ia′, IIa, IIa′, IIIa, IIIa′, IVa, or Va and the therapeutic use thereof. The present invention also includes methods of treating NF2-deficient or NF1-deficient cells or neurodegenerative diseases with radicicol or its derivatives, such as one or more compounds of formula I, II, III, IV, V, Ia, Ia′, IIa, IIa′, IIIa, IIIa′, IVa, or Va. Furthermore, the present invention is directed to methods of inhibiting the growth of NF2-deficient or NF1-deficient tumors. The methods comprise contacting NF2-deficient or NF1-deficient tumor cells with radicicol or its derivatives, such as one or more compounds of formula I, II, III, IV, V, Ia, Ia′, IIa, IIa′, IIIa, IIIa′, IVa, or Va. The present invention is also directed to the combinational use of radicicol or its derivatives, such as one or more compounds of formula I, II, III, IV, V, Ia, Ia′, IIa, IIa′, IIIa, IIIa′, IVa, or Va with at least one additional active agent, such as one or more HSP90 inhibitors.

  本发明提供了Ia、Ia′、IIa、IIa′、IIIa、IIIa′、IVa或Va配方的化合物及其治疗用途。本发明还包括使用紫霉素或其衍生物，例如公式I、II、III、IV、V、Ia、Ia′、IIa、IIa′、IIIa、IIIa′、IVa或Va中的一个或多个化合物，治疗NF2缺陷或NF1缺陷细胞或神经退行性疾病的方法。此外，本发明还涉及抑制NF2缺陷或NF1缺陷肿瘤生长的方法。该方法包括使用紫霉素或其衍生物，例如公式I、II、III、IV、V、Ia、Ia′、IIa、IIa′、IIIa、IIIa′、IVa或Va中的一个或多个化合物接触NF2缺陷或NF1缺陷肿瘤细胞。本发明还涉及紫霉素或其衍生物，例如公式I、II、III、IV、V、Ia、Ia′、IIa、IIa′、IIIa、IIIa′、IVa或Va与至少一种其他活性剂，例如一种或多种HSP90抑制剂的联合使用。
• US8158677B2
  申请人：——

  公开号：US8158677B2

  公开（公告）日：2012-04-17
• US8329683B2
  申请人：——

  公开号：US8329683B2

  公开（公告）日：2012-12-11